SCHEMBL7086555

SCHEMBL7086555

C=C(C)CCCCC=CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TRPV1 Q8NER1 3/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 2/20 0.37
RECQL P46063 2/20 0.37
PTGS1 P23219 4/20 0.35
CYP1A2 P05177 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM1A O60341 1/20 0.35
NR1I2 O75469 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL4583504 0.85 MEN1 (0.34) CYP3A4KMT2AMEN1
SCHEMBL15233833 0.80 CYP3A4 (0.41) CYP3A4KMT2AMEN1TRPV1MAPT
SCHEMBL9881033 0.79 TRPV1 (0.44) CYP3A4KMT2AMEN1TRPV1MAPT
SCHEMBL8623233 0.78 SOAT1 (0.38) CYP3A4KMT2AMEN1MAPTLMNA
SCHEMBL8623230 0.78 SOAT1 (0.38) CYP3A4KMT2AMEN1MAPTLMNA
SCHEMBL7187380 0.78 FFAR1 (0.35) CYP3A4KMT2AMEN1TRPV1MAPT
SCHEMBL28222818 0.77 CYP3A4 (0.36) CYP3A4KMT2AMEN1TRPV1MAPT
SCHEMBL14835005 0.76 CYP3A4 (0.37) CYP3A4KMT2AMEN1MAPTLMNA
SCHEMBL28871118 0.76 SOAT1 (0.41) CYP3A4KMT2AMEN1MAPTLMNA
SCHEMBL29066851 0.76 KMT2A (0.34) CYP3A4KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603025-A Process for preparing alpha, beta unsaturated aldehydes by oxidizing alcohols in the presence of a liquid phase 巴斯夫欧洲公司 2024-02-27 CN disclosed
CN-110418779-B Process for preparing alpha, beta unsaturated aldehydes by oxidizing alcohols in the presence of a liquid phase 巴斯夫欧洲公司 2023-12-15 CN disclosed
CN-115485624-A Composition for forming resist underlayer film 日产化学株式会社 2022-12-16 CN disclosed
CN-115398342-A Film-forming composition 日产化学株式会社 2022-11-25 CN disclosed
EP-1341776-A1 BENZAZOLONYLCARBONYL CYCLOHEXENONES AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-09-10 EP disclosed
WO-2002048121-A1 BENZAZOLONYLCARBONYL CYCLOHEXENONES AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
US-5783722-A FUNGICIDES AND PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
US-5330965-A Effective against grasses, agricultural use BASF AKTIENGESELLSCHAFT (DE) 1994-07-19 US disclosed
US-5228896-A Pre- and postemergence herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-07-20 US disclosed