SCHEMBL7694175

SCHEMBL7694175

CC1=C(C=CC=O)C(C)(C)CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
CYP3A4 P08684 5/20 0.60
APP P05067 4/20 0.60
SNCA P37840 4/20 0.60
ALOX15 P16050 3/20 0.60
CYP1A2 P05177 2/20 0.60
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
NR2E1 Q9Y466 1/20 0.60
PTGS1 P23219 4/20 0.54
LMNA P02545 2/20 0.54
DRD3 P35462 2/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
HAO1 Q9UJM8 1/20 0.51
MAPT P10636 6/20 0.50
RXRA P19793 5/20 0.50
RARA P10276 5/20 0.50
RARB P10826 5/20 0.50

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
SCHEMBL9117657 1.00 ALDH1A1 (0.60) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8950124 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL19652488 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL19652484 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8460696 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8776535 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8950189 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8462052 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL8458864 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4APPSNCAALOX15
SCHEMBL9514652 0.83 CYP1A2 (0.57) ALDH1A1CYP3A4APPSNCAALOX15

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115792012-A Method for detecting fragrance components of rose dew and method for measuring fragrance component content of rose dew 兰州海关技术中心 2023-03-14 CN claimed
US-11849742-B2 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2023-12-26 US disclosed
US-20230085263-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC Natural Products., Ltd. (CN) 2023-03-16 US disclosed
US-20230082165-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC Natural Products Co., Ltd (CN) 2023-03-16 US disclosed
CN-115792012-A Method for detecting fragrance components of rose dew and method for measuring fragrance component content of rose dew 兰州海关技术中心 2023-03-14 CN disclosed
US-20230037188-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC Natural Products., Ltd. (CN) 2023-02-02 US disclosed
US-11425923-B1 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2022-08-30 US disclosed
US-11324237-B2 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2022-05-10 US disclosed
US-20200054056-A1 TASTEFUL NATURAL SWEETENER AND FLAVOR EPC NATURAL PRODUCTS CO., LTD. (CN) 2020-02-20 US disclosed
US-6348618-B1 PREPARING ORGANOLEPTIC OR ANTIMICROBIAL COMPOUNDS BY CONTACTING BETA-KETO ESTER WITH MATERIAL SELECTED FROM BACTERIA, ENZYMES, AND MATERIAL HAVING ACIDIC OR ALKALINE PH, ELEVATING TEMPERATURE, EXPOSING TO LIGHT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2002-02-19 US disclosed
EP-1090624-A2 Beta ketoester Givaudan SA (CH) 2001-04-11 EP disclosed
EP-0911315-A1 Beta-ketoester Givaudan Roure (International) S.A. (CH) 1999-04-28 EP disclosed
WO-1995033745-A9 NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY 1996-01-18 WO disclosed
WO-1995033745-A2 NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY SRI INTERNATIONAL (US) 1995-12-14 WO disclosed