SCHEMBL8943593

SCHEMBL8943593

COc1ccc(Nc2cccc(OCc3cccc(COc4cccc(Nc5ccc(OC)cc5)c4Nc4ccc(OC)cc4)c3)c2Nc2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 6/20 0.46
ABCB1 P08183 5/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
MMP14 P50281 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8944343 0.95 ALDH1A1 (0.46) ALDH1A1RAB9AABCB1HTR1ADRD2
SCHEMBL8943973 0.92 ALDH1A1 (0.49) ALDH1A1RAB9AABCB1HTR1ACTSV
SCHEMBL8943788 0.86 SGMS2 (0.41) ALDH1A1RAB9AHTR1ACTSVCTSL
SCHEMBL8943587 0.85 ALDH1A1 (0.53) ALDH1A1RAB9AMAPTGAAKDM4E
SCHEMBL8944281 0.85 ALDH1A1 (0.53) ALDH1A1RAB9AMAPTGAAKDM4E
SCHEMBL8943887 0.83 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTGAAKDM4E
SCHEMBL8943590 0.83 CTSV (0.47) ALDH1A1RAB9AABCB1CTSVCTSL
SCHEMBL8944399 0.82 ALDH1A1 (0.50) ALDH1A1RAB9AMAPTGAAKDM4E
SCHEMBL8943539 0.81 ALDH1A1 (0.49) ALDH1A1RAB9AMAPTGAAKDM4E
SCHEMBL8943993 0.80 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTGAAKDM4E

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed