SCHEMBL4851834

SCHEMBL4851834

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
HPGD P15428 5/20 0.65
CYP3A4 P08684 5/20 0.65
HSD17B10 Q99714 4/20 0.65
TDP1 Q9NUW8 3/20 0.65
HIF1A Q16665 2/20 0.65
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GPR55 Q9Y2T6 2/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RPS6KA2 Q15349 1/20 0.36
S100B P04271 1/20 0.36
MAPK1 P28482 2/20 0.36
IGLV6-57 P01721 1/20 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
SCHEMBL8930953 0.99 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL28008 0.98 ALDH1A1 (0.69) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL9319300 0.98 ALDH1A1 (0.69) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL29384978 0.98 ALDH1A1 (0.69) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL9319588 0.97 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL9319192 0.95 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL9318941 0.93 ALDH1A1 (0.60) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL9320171 0.93 ALDH1A1 (0.57) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL1369193 0.91 ALDH1A1 (0.80) ALDH1A1HPGDCYP3A4HSD17B10TDP1
SCHEMBL28977116 0.90 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5208556-A None JP disclosed
US-7354884-B2 Thermal recording material OJI PAPER CO., LTD. (JP) 2008-04-08 US disclosed
US-20050239646-A1 Thermal recording material OJI PAPER CO., LTD. (JP) 2005-10-27 US disclosed
EP-0349194-B1 Heat-sensitive record material KANZAKI PAPER MFG CO LTD (JP) 1994-01-05 EP disclosed
JP-H05208556-A THERMAL RECORDING MATERIAL KANZAKI PAPER MFG CO LTD 1993-08-20 JP 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