SCHEMBL8944197

SCHEMBL8944197

COc1ccc(N(c2ccc(C)cc2)c2ccc(Sc3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
PTGIR P43119 6/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL8943944 0.92 PTGIR (0.52) ACHEPTGIRPOLBCA12CA1
SCHEMBL19958553 0.88 ACHE (0.71) ACHERELAALDH1A1MAPTHPGD
SCHEMBL12545287 0.88 ACHE (0.71) ACHERELAALDH1A1MAPTHPGD
SCHEMBL3484650 0.88 ACHE (0.71) ACHEPTGIRRELAALDH1A1MAPT
SCHEMBL10065624 0.88 ACHE (0.71) ACHERELAALDH1A1MAPTHPGD
SCHEMBL348291 0.88 ACHE (0.71) ACHERELAALDH1A1MAPTHPGD
SCHEMBL172190 0.88 ACHE (0.71) ACHERELAALDH1A1MAPTHPGD
SCHEMBL24133973 0.86 ALDH1A1 (0.46) ACHEPTGIRALDH1A1MAPTHPGD
SCHEMBL8943645 0.86 ALDH1A1 (0.46) ACHEPTGIRALDH1A1MAPTHPGD
SCHEMBL8944222 0.85 CA4 (0.46) PTGIRALDH1A1MAPTNPSR1HTT

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