SCHEMBL8409964

SCHEMBL8409964

C=CC(=O)OCCCOCCC#N

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP3A4 P08684 2/20 0.55
HSD17B10 Q99714 1/20 0.55
HPGD P15428 1/20 0.50
THRB P10828 2/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.32

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
SCHEMBL8413369 0.97 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8413568 0.95 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8413625 0.95 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11597311 0.93 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8413578 0.89 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL303363 0.89 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL530479 0.85 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL33946 0.85
SCHEMBL9945692 0.85 TSHR (0.74) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2921943 0.85 TSHR (0.74) TSHRALDH1A1TP53HIF1ACYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3174490-A None JP disclosed
EP-0685500-B1 Copolymer rubber and method for its production TOSOH CORP (JP) 1999-08-04 EP disclosed
US-5512647-A CYANO GROUP-CONTAINING ACRYLATES, UNSATURATED NITRILES AND OTHER ETHYLENICALLY UNSATURATED MONOMERS; FUEL OIL AND COLD RESISTANCE TOSOH CORPORATION (JP) 1996-04-30 US disclosed
EP-0685500-A1 Copolymer rubber and method for its production TOSOH CORPORATION (JP) 1995-12-06 EP disclosed
JP-H03174490-A LIQUID CRYSTAL FILM AND ITS PREPARATION NIPPON KASEI KK 1991-07-29 JP disclosed