SCHEMBL9149803

SCHEMBL9149803

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ KMT2A Q03164 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ CYP1A2 P05177 2/20 0.56
▸ PKM P14618 1/20 0.51
▸ AKR1C3 P42330 4/20 0.51
▸ AKR1C2 P52895 4/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL9153922 0.90 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL8654945 0.86 KDM4E (0.60) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL8600796 0.86 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL9150847 0.86 MAPT (0.64) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL8603028 0.85 MAPT (0.78) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL9149337 0.84 RAB9A (0.63) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL8655646 0.84 KDM4E (0.60) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL9150545 0.84 KDM4E (0.60) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL9149780 0.84 KDM4E (0.60) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL8652810 0.83 MAPT (0.76) ALDH1A1MAPTKDM4EKMT2AHSD17B10

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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