SCHEMBL9319672

SCHEMBL9319672

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
HPGD P15428 5/20 0.49
CYP3A4 P08684 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HIF1A Q16665 2/20 0.49
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX12 P18054 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CYP1A2 P05177 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9320171 0.96 ALDH1A1 (0.57) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL7778513 0.92 ALDH1A1 (0.57) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9319192 0.92 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9319295 0.91 ALDH1A1 (0.63) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9446010 0.89 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL7773677 0.89 ALDH1A1 (0.61) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL4851834 0.88 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9319588 0.87 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL8930953 0.87 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4TDP1HSD17B10
SCHEMBL9009831 0.86 ALDH1A1 (0.48) 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