SCHEMBL9504275

SCHEMBL9504275

C=C(C)C(=O)OCC(CC)CCCC.C=Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.49
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 3/20 0.46
CA2 P00918 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 4/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 1/20 0.42
ATM Q13315 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
Styrene SCHEMBL1246542 0.88 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4CA2TDP1
Styrene SCHEMBL10579599 0.86 ALDH1A1 (0.52) TSHRALDH1A1CYP3A4CA2TDP1
SCHEMBL9507227 0.86 TSHR (0.69) TSHRALDH1A1CYP3A4CA2TDP1
Styrene SCHEMBL28988056 0.84 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4CA2TDP1
Styrene SCHEMBL29158064 0.84 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4CA2TDP1
SCHEMBL27861823 0.83 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1LMNA
SCHEMBL1269088 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4CA2TDP1
SCHEMBL16772 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4CA2TDP1
Styrene SCHEMBL7717059 0.81 TSHR (0.58) TSHRALDH1A1CYP3A4CA2TDP1
Styrene SCHEMBL8956089 0.81 TSHR (0.55) TSHRALDH1A1CYP3A4CA2TDP1

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
EP-0243177-B1 CATALYTIC PRODUCTION OF POLYAMIDE BLOCK COPOLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-07-07 EP disclosed
US-4775721-A Process for producing polyamide block copolymer SUMIMOTO CHEMICAL COMPANY, LIMITED (JP) 1988-10-04 US disclosed