SCHEMBL9150841

SCHEMBL9150841

CCCC(=O)Oc1ccc(OC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL9150983 0.85 FAAH (0.62) MAPTKDM4EALDH1A1KMT2ACYP2D6
SCHEMBL9149532 0.85 RAB9A (0.63) MAPTKDM4EALDH1A1KMT2ACYP2D6
SCHEMBL8600796 0.83 ALDH1A1 (0.60) MAPTKDM4EALDH1A1KMT2ACYP2D6
SCHEMBL8654945 0.83 KDM4E (0.60) MAPTKDM4EALDH1A1KMT2ACYP2D6
SCHEMBL9150376 0.82 FAAH (0.69) FAAH
SCHEMBL8603028 0.82 MAPT (0.78) MAPTKDM4EALDH1A1KMT2ACYP2D6
SCHEMBL9149803 0.81 ALDH1A1 (0.58) MAPTKDM4EALDH1A1KMT2ACYP2D6
SCHEMBL9149337 0.81 RAB9A (0.63) MAPTKDM4EALDH1A1KMT2ACYP2D6
SCHEMBL9150545 0.81 KDM4E (0.60) MAPTKDM4EALDH1A1KMT2ACYP2D6
SCHEMBL9149780 0.81 KDM4E (0.60) MAPTKDM4EALDH1A1KMT2ACYP2D6

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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