SCHEMBL9663129

SCHEMBL9663129

CCOc1ccc(C(=CC2(C=C(c3ccc(OCC)cc3)c3ccc(N4CCCCC4)cc3)OC(=O)c3cc(N(CC)CC)ccc32)c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 7/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
APP P05067 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
SNCA P37840 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 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
SCHEMBL9663127 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTALOX15HSD17B10
SCHEMBL1616962 0.89 KMT2A (0.45) ALDH1A1KMT2AMAPTALOX15HSD17B10
SCHEMBL9664426 0.86 KMT2A (0.40) ALDH1A1KMT2AMAPTALOX15HSD17B10
SCHEMBL9664431 0.86 KMT2A (0.40) ALDH1A1KMT2AMAPTALOX15HSD17B10
SCHEMBL1618072 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTALOX15HSD17B10
SCHEMBL9803796 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL1618378 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTALOX15HSD17B10
SCHEMBL1617903 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL1617727 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTALOX15HSD17B10
SCHEMBL9663554 0.78 MAPT (0.38) ALDH1A1KMT2AMAPTHSD17B10MEN1

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
US-5132272-A Phthalide derivative basic dye, fluoran derivative, and 4,4*-isopropylidenediphenol; heat resistance, discoloration inhibition KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-07-21 US disclosed
EP-0232907-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-03-27 EP disclosed
US-4761396-A BASIC PHTHALIDE DYE REACTS WITH FLUORENE DERIVATIVE AND P-PHENYLENEDIAMINE DERIVATIVE KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-08-02 US disclosed