SCHEMBL9507227

SCHEMBL9507227

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.69
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 4/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 4/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HPGD P15428 2/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL8656083 0.91 TSHR (0.78) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL491218 0.88 TSHR (0.72) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL9506290 0.86 TSHR (0.63) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL9504275 0.86 TSHR (0.49) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL9311792 0.84 TSHR (0.66) TSHRTDP1ALDH1A1CYP3A4CA2
Styrene SCHEMBL1092186 0.84 TSHR (0.66) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL16765797 0.83 TSHR (1.00) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL20609794 0.83 TSHR (1.00) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL29596375 0.83 TSHR (1.00) TSHRTDP1ALDH1A1CYP3A4CA2
SCHEMBL14869 0.83 TSHR (1.00) 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 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