SCHEMBL28916630

SCHEMBL28916630

c1ccc2cc3c(-c4c(-c5cccc6ccccc56)ccc5cc6ccccc6cc45)cccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
HIF1A Q16665 2/20 0.47
CYP1B1 Q16678 1/20 0.47
CES1 P23141 1/20 0.45
DNMT1 P26358 1/20 0.44
ANPEP P15144 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SOS1 Q07889 1/20 0.39

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
SCHEMBL243631 0.98 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL27569161 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL29410607 0.94 CES1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL3869266 0.94 CES1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL30302657 0.93 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL21617935 0.93 DNMT1 (0.49) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL29810631 0.93 CES1 (0.43) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL30332669 0.88 CES1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL30302685 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL30332860 0.87 CES1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115505100-A Epoxy resin based on spirosilafluorene as skeleton and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN claimed
CN-115505099-A Epoxy resin containing carbazole structure and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN claimed