SCHEMBL8943750

SCHEMBL8943750

COc1ccc(N(c2ccc(OC)cc2)c2ccc(OCC(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
POLB P06746 3/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 3/20 0.55
CYP2C9 P11712 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP2C19 P33261 1/20 0.55
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
SLC2A1 P11166 1/20 0.42
XBP1 P17861 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
CA14 Q9ULX7 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3182331 0.88 HPGD (0.66) MAPTPOLBHPGDKDM4ECYP2C9
SCHEMBL17281130 0.85 MAPT (0.53) MAPTPOLBHPGDKDM4ECYP2C9
SCHEMBL15871058 0.85 TSHR (0.42) MAPTPOLBHPGDKDM4ECYP2C9
SCHEMBL15871072 0.84 KDM4E (0.48) MAPTPOLBHPGDKDM4ECYP2C9
SCHEMBL19908486 0.84 APP (0.47) MAPTPOLBHPGDKDM4ECYP2C9
SCHEMBL17281109 0.84 KMT2A (0.43) MAPTPOLBHPGDKDM4ECYP2C9
SCHEMBL20851317 0.82 HPGD (0.70) MAPTPOLBHPGDKDM4ECYP2C9
SCHEMBL8943626 0.80 NQO1 (0.61) MAPTKDM4ECYP2C9ALDH1A1CYP2C19
SCHEMBL8944288 0.80 NQO1 (0.61) MAPTKDM4ECYP2C9ALDH1A1CYP2C19
SCHEMBL14173945 0.80 TSHR (0.58) MAPTPOLBHPGDKDM4ECYP2C9

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