SCHEMBL5346548

SCHEMBL5346548

C=CCC(CC=C)(c1ccccc1)c1ccccc1.N=C=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 2/20 0.33
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL251049 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL7740564 0.88 TSHR (0.55) ALDH1A1TSHRHTTKMT2AMEN1
Ammonia Solution, Strong SCHEMBL11170544 0.86 TSHR (0.53) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL28564856 0.84 ALDH1A1 (0.41) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL170076 0.80 ALDH1A1 (0.37) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL1220936 0.76 HTT (0.50) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL3805520 0.76 ALDH1A1 (0.48) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL7741027 0.74 TSHR (0.47) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL31402690 0.74 ESR1 (0.45) CYP2C19MAPK1
SCHEMBL4209480 0.74 TSHR (0.37) ALDH1A1TSHRCYP2C19MAPK1

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
WO-2007100170-A1 THERMOPLASTIC FOAM FILM AND LAMINATE THEREOF P.N.K CO., LTD. (KR) 2007-09-07 WO disclosed
US-6245695-B1 BLEND OF CHLORINATED POLYOLEFIN FIRE RETARDANT AND A POLYESTERURETHANE COPOLYMER COMPRISING TRIMETHYL-1,6-HEXANEDIOL UNITS IN THE HIGH MOLECULAR WEIGHT POLYESTER BLOCK DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-12 US disclosed