SCHEMBL3051643

SCHEMBL3051643

OCc1ccc2c(c1)Cc1ccc(CO)cc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CHEK1 O14757 2/20 0.41
CYP17A1 P05093 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SRD5A2 P31213 1/20 0.38
PDK2 Q15119 1/20 0.38
FAAH O00519 1/20 0.36

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
SCHEMBL29008215 0.94 CHEK1 (0.44) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL3453563 0.88 NPC1 (0.48) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL2965416 0.88 TSHR (0.55) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL15202657 0.82
SCHEMBL7127913 0.80 AKR1B1 (0.42) TSHRCHEK1SRD5A2PDK2
SCHEMBL2310400 0.77 TSHR (0.42) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL14034508 0.76 TSHR (0.41) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL7153161 0.75 ALDH1A1 (0.52) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL3531737 0.73 GAA (0.45) TSHRALDH1A1ATMNPSR1RAB9A
SCHEMBL3047696 0.73 PGR (0.48) TSHRALDH1A1ATMNPSR1RAB9A

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-8338078-B2 Photoresist undercoat-forming material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100104977-A1 PHOTORESIST UNDERCOAT-FORMING MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-04-29 US disclosed