SCHEMBL9145825

SCHEMBL9145825

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.81
▸ MAPT P10636 3/20 0.81
▸ HSD17B10 Q99714 3/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ CYP2D6 P10635 2/20 0.81
▸ MEN1 O00255 1/20 0.81
▸ POLB P06746 1/20 0.81
▸ ATM Q13315 1/20 0.81
▸ ALDH1A1 P00352 2/20 0.56
▸ AKR1C3 P42330 2/20 0.52
▸ AKR1C2 P52895 2/20 0.52
▸ PKM P14618 1/20 0.50
▸ XDH P47989 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ SLC22A12 Q96S37 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL3989897 0.90 KDM4E (1.00) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL9153380 0.89 MAPT (0.65) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL8654945 0.85 KDM4E (0.60) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL8600796 0.85 ALDH1A1 (0.60) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL8603028 0.84 MAPT (0.78) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL9149803 0.83 ALDH1A1 (0.58) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL9150545 0.83 KDM4E (0.60) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL9149780 0.83 KDM4E (0.60) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL8655646 0.83 KDM4E (0.60) KDM4EMAPTHSD17B10KMT2ACYP2D6
SCHEMBL8652810 0.82 MAPT (0.76) KDM4EMAPTHSD17B10KMT2ACYP2D6

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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