SCHEMBL9506290

SCHEMBL9506290

C=CC(=O)OCC(CC)CCCC.C=Cc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 3/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 4/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 2/20 0.37
PRKCA P17252 2/20 0.36
RASGRP3 Q8IV61 2/20 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
SCHEMBL9507227 0.86 TSHR (0.69) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL491218 0.86 TSHR (0.72) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL8656083 0.85 TSHR (0.78) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL1092186 0.82 TSHR (0.66) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL9311792 0.82 TSHR (0.66) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL27467831 0.81 TSHR (0.64) TSHRTDP1ALDH1A1CYP3A4CA2
Benzene SCHEMBL8820576 0.81 TSHR (0.91) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL7720508 0.80 TSHR (0.63) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL6343509 0.80 TSHR (0.63) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL8656081 0.80 TSHR (0.74) TSHRTDP1ALDH1A1CYP3A4CA2

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 3 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
EP-0243177-A1 Catalytic production of polyamide block copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-28 EP disclosed