SCHEMBL2321816

SCHEMBL2321816

C=CCc1c(C)cccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
ATM Q13315 1/20 0.45
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
SRD5A1 P18405 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
NLRP3 Q96P20 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
XDH P47989 1/20 0.38
MTNR1A P48039 1/20 0.38
ACHE P22303 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30023289 1.00 TRPA1 (0.45) TRPA1ATMGABRA1GABRB2SRD5A1
Formaldehyde SCHEMBL28639118 0.96 TRPA1 (0.42) TRPA1ATMGABRA1GABRB2SRD5A1
SCHEMBL28781373 0.93 SRD5A1 (0.40) TRPA1ATMGABRA1GABRB2SRD5A1
SCHEMBL69556 0.85 GABRA1 (0.48) GABRA1GABRB2SRD5A1MAPTMEN1
SCHEMBL1235826 0.85 MAPT (0.44) GABRA1GABRB2MAPTALDH1A1KDM4E
SCHEMBL8897256 0.82 TRPA1 (0.39) TRPA1ATMGABRA1GABRB2MAPT
SCHEMBL30114992 0.82 SRD5A1 (0.45) GABRA1GABRB2SRD5A1MAPTMEN1
SCHEMBL5849188 0.82 SRD5A1 (0.45) GABRA1GABRB2SRD5A1MAPTMEN1
SCHEMBL5954018 0.80 TRPA1 (0.45) TRPA1ATMMAPTPOLBMAPK1
SCHEMBL11134499 0.80 TRPA1 (0.45) TRPA1ATMGABRA1GABRB2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 646 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998268-A Process for preparing 2,6, 7, 8-heptamethyl-3, 6,7, 8-tetrahydro-2H-indeno [4,5-b ] furan and use thereof 国际香料和香精公司 2025-05-13 CN claimed
CN-115232310-A High-temperature-resistant tough bismaleimide resin and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-10-25 CN claimed
EP-3092046-B1 ALKOXYLATED PRODUCT AND USE THEREOF Hexion GmbH (DE) 2018-04-18 EP claimed
EP-3092046-A1 ALKOXYLATED PRODUCT AND USE THEREOF Hexion GmbH (DE) 2016-11-16 EP claimed
CN-105452457-A Cystathionine beta-synthase for the treatment of homocystinuria REGENTS OF THE UNIV OF COLORADO 2016-03-30 CN claimed
CN-104812845-A Color-stable oral care compositions COLGATE PALMOLIVE CO 2015-07-29 CN claimed
WO-2015104048-A1 ALKOXYLATED PRODUCT AND USE THEREOF Hexion GmbH (DE) 2015-07-16 WO claimed
CN-103819320-B Method for preparing anisaldehyde by using natural anethole as raw material UNIV NANCHANG HANGKONG 2015-06-17 CN claimed
CN-102421876-B Extraction of hydrocarbons from hydrocarbon-containing materials and/or processing of hydrocarbon-containing materials GREEN SOURCE ENERGY LLC 2015-06-17 CN claimed
CN-104311399-A Method for converting estragole into trans-anethole GUANGXI ZHUANG AUTONOMOUS REGION FORESTRY RES INST 2015-01-28 CN claimed
EP-0635255-B1 Process for the stabilisation and reduction of co2 permeability of bicarbonate solution containers made from plasticised PVC HOSPAL AG (CH) 1999-07-28 EP claimed
CN-1222933-A Cleaning composition PROCTER & GAMBLE (US) 1999-07-14 CN claimed
CN-1208435-A Disinfecting compositions and processes for disinfecting surfaces PROCTER & GAMBLE (US) 1999-02-17 CN claimed
CN-1207121-A Disinfecting compositions PROCTER & GAMBLE (US) 1999-02-03 CN claimed
CN-1160756-A Separation promoter applied to separation of octadecanoic unsaturated fatty acid in grease ZHANG MINGSHAN (CN) 1997-10-01 CN claimed
CN-1160078-A Novel method for separating octadecane unsaturated fatty acid from grease ZHANG MINGSHAN (CN) 1997-09-24 CN claimed
EP-0539682-B1 Agent for preserving wood and woodey materials, process for the preparation and use thereof DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-12-07 EP claimed
US-4689175-A AROMA OF LEATHER; MEN'S AFTERSHAVE NAARDEN INTERNATIONAL N.V. (NL) 1987-08-25 US claimed
EP-0215503-A1 Perfume compositions and perfumed articles and materials which contain derivatives of m-cresol as perfume component NAARDEN INTERNATIONAL N.V. (NL) 1987-03-25 EP claimed
EP-0060673-B1 EXTRUDABLE FILM-FORMING COMPOSITIONS OF ZIEGLER-NATTA CATALYZED OLEFIN POLYMERS INCLUDING ANTI-GEL AND ANTI-BLOCK COMPONENTS UNION CARBIDE CORPORATION (US) 1986-03-05 EP claimed