SCHEMBL7829396

SCHEMBL7829396

NC(=O)CC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
KDM1A O60341 1/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.47
FFAR1 O14842 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
SCHEMBL2843886 0.84 CA12 (0.56) CA12CA2CA9MEN1KMT2A
SCHEMBL1663647 0.82 CA2 (0.58) CA12CA2CA9MEN1KMT2A
SCHEMBL11290600 0.82 CYP1A2 (0.60) MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1689279 0.82 KDM1A (0.69) MEN1KMT2AKDM1AGAA
SCHEMBL2560745 0.81 MAPT (0.66) CA12CA2CA9MEN1KMT2A
SCHEMBL9912437 0.80 CA12 (0.56) CA12CA2CA9MEN1KMT2A
SCHEMBL4337756 0.80 PEPD (0.63) CA12CA2CA9MEN1KMT2A
SCHEMBL7521048 0.79 PEPD (0.61) CA2MEN1KMT2AALDH1A1CA1
SCHEMBL5192063 0.79 POLB (0.57) CA12CA2CA9MEN1KMT2A
SCHEMBL7821936 0.79 KMT2A (0.58) CA12CA2CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed