SCHEMBL9446010

SCHEMBL9446010

CCCCCN(CCCCC)c1ccc(C2(c3ccc(N(CCCCC)CCCCC)cc3)OC(=O)c3cc(N(CC)CC)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
CYP3A4 P08684 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HIF1A Q16665 1/20 0.56
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
CYP1A2 P05177 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHR2 Q13324 1/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
CASP7 P55210 1/20 0.38
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
MAPT P10636 3/20 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
SCHEMBL7778513 0.96 ALDH1A1 (0.57) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL7773677 0.93 ALDH1A1 (0.61) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL1074866 0.90 ALDH1A1 (0.68) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL1027179 0.90 TDP1 (0.69) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9319672 0.89 ALDH1A1 (0.49) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9652326 0.88 ALDH1A1 (0.70) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9009831 0.88 ALDH1A1 (0.48) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL10349295 0.88 ALDH1A1 (0.48) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL7780629 0.87 ALDH1A1 (0.72) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9650354 0.86 ALDH1A1 (0.74) ALDH1A1HPGDCYP3A4TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236885-A Applying desensitizer; contacting with colored portion of sheet KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1993-08-17 US disclosed