SCHEMBL9320171

SCHEMBL9320171

CCCCN(CCCC)c1ccc(C2(c3ccc(N(CC)CC)cc3C)OC(=O)c3cc(N(C)C)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
HPGD P15428 6/20 0.57
CYP3A4 P08684 5/20 0.57
TDP1 Q9NUW8 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HIF1A Q16665 2/20 0.57
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CRHR1 P34998 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33

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
SCHEMBL9319672 0.96 ALDH1A1 (0.49) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9319295 0.95 ALDH1A1 (0.63) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL4851834 0.93 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL8930953 0.92 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL28008 0.91 ALDH1A1 (0.69) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL29384978 0.91 ALDH1A1 (0.69) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9319300 0.91 ALDH1A1 (0.69) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9319588 0.90 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL7780629 0.89 ALDH1A1 (0.72) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL7778513 0.89 ALDH1A1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349194-B1 Heat-sensitive record material KANZAKI PAPER MFG CO LTD (JP) 1994-01-05 EP disclosed
US-4977132-A CONTAINING FLUORAN DERIVATIVE, PHTHALIDE DERIVATIVE, PHENOLIC COMPOUND; STORAGE STABILITY KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-12-11 US disclosed
EP-0349194-A2 Heat-sensitive record material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-01-03 EP disclosed