SCHEMBL9146199

SCHEMBL9146199

CC(C)(c1ccc(OCc2ccccc2)cc1)c1ccc(OC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ MAOB P27338 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CASP3 P42574 1/20 0.47

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
SCHEMBL9145723 0.92 KDM4E (0.60) MAPTKMT2AKDM4ECYP2D6HSD17B10
SCHEMBL9153380 0.90 MAPT (0.65) MAPTKMT2AKDM4ECYP2D6HSD17B10
SCHEMBL9123663 0.86 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9125861 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1CASP3
SCHEMBL9145825 0.81 KDM4E (0.81) MAPTKMT2AKDM4ECYP2D6HSD17B10
SCHEMBL9148444 0.81 MAPT (0.80) MAPTKMT2AKDM4ECYP2D6HSD17B10
SCHEMBL8603028 0.79 MAPT (0.78) MAPTKMT2AKDM4ECYP2D6HSD17B10
SCHEMBL9304337 0.78 MCL1 (0.67) KMT2AMEN1RAB9ANPC1MAOB
SCHEMBL8652810 0.78 MAPT (0.76) MAPTKMT2AKDM4ECYP2D6HSD17B10
SCHEMBL9150983 0.77 FAAH (0.62) MAPTKMT2AKDM4ECYP2D6HSD17B10

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 — — US disclosed
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