SCHEMBL9027059

SCHEMBL9027059

c1ccc2c(C3CO3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.56
HTR2A P28223 3/20 0.56
HTR2B P41595 3/20 0.56
ADRB2 P07550 1/20 0.54
GAA P10253 3/20 0.53
MGAM O43451 2/20 0.53
SI P14410 2/20 0.53
MGAM2 Q2M2H8 2/20 0.53
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
SLC6A4 P31645 1/20 0.50
IDO1 P14902 3/20 0.49
AR P10275 1/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 2/20 0.48
BRD4 O60885 1/20 0.48
POLB P06746 1/20 0.48
CREBBP Q92793 1/20 0.48
MAPT P10636 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
SCHEMBL27757460 0.80 HTR2C (0.50) HTR2CHTR2AHTR2BADRB2GAA
SCHEMBL31295110 0.79 HTR2A (0.53) HTR2CHTR2AHTR2BADRB2GAA
SCHEMBL31295157 0.76 IDO1 (0.49) HTR2CHTR2AHTR2BADRB2GAA
SCHEMBL734917 0.76 HTR2C (0.79) HTR2CHTR2AHTR2BADRB2KDM4E
SCHEMBL25324193 0.74 GAA (0.54) HTR2CHTR2AHTR2BADRB2GAA
SCHEMBL27975863 0.74 HTR2C (0.58) HTR2CHTR2AHTR2BADRB2GAA
SCHEMBL13255020 0.73 HTR2C (0.41) HTR2CHTR2AHTR2BADRB2GAA
SCHEMBL807343 0.73 HTR2C (0.74) HTR2CHTR2AHTR2BADRB2KDM4E
SCHEMBL28594057 0.73 HTR2C (0.74) HTR2CHTR2AHTR2BADRB2KDM4E
SCHEMBL19180060 0.73 HTR2C (0.51) HTR2CHTR2AHTR2BADRB2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558950-B1 3-aryl-glycidic ester derivatives and process for their preparation PHARMACIA SPA (IT) 1996-12-04 EP disclosed
US-5436235-A 3-aryl-glycidic ester derivatives FARMITALIA CARLO ERBA S.R.L. (IT) 1995-07-25 US disclosed
EP-0558950-A1 3-aryl-glycidic ester derivatives and process for their preparation PHARMACIA S.p.A. (IT) 1993-09-08 EP disclosed