SCHEMBL2312432

SCHEMBL2312432

OCCc1c2ccccc2cc2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP1B1 Q16678 2/20 0.52
HIF1A Q16665 1/20 0.52
HPRT1 P00492 3/20 0.45
CYP1A2 P05177 5/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HNF4A P41235 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
SOS1 Q07889 1/20 0.42
HTR2A P28223 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FYN P06241 2/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL3343719 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL240651 0.85 HTR2A (0.56) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL2313164 0.81 HTR2A (0.48) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL2310413 0.81 L3MBTL1 (0.40) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL2312437 0.79 HPRT1 (0.50) ALDH1A1HSD17B10HPRT1CYP1A2CYP2C9
SCHEMBL2311447 0.79 HPRT1 (0.50) ALDH1A1HSD17B10HPRT1CYP1A2CYP2C9
SCHEMBL2314302 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL19065039 0.78 L3MBTL1 (0.70) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL83486 0.78 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL8035089 0.78 HSD17B10 (0.46) ALDH1A1HSD17B10HIF1AHPRT1CYP1A2

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
US-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed