SCHEMBL9765296

SCHEMBL9765296

CCCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 3/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCD Q05655 1/20 0.44
EEF2K O00418 4/20 0.43
UTS2R Q9UKP6 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 2/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL9765262 0.88 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1ATML3MBTL1CYP1A2
SCHEMBL29019328 0.81 CA2 (0.61) SMN1; SMN2ALDH1A1ATML3MBTL1CYP1A2
SCHEMBL9765323 0.81 TBXA2R (0.52) SMN1; SMN2ALDH1A1ATML3MBTL1EEF2K
SCHEMBL27821808 0.75 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5651951 0.75 EEF2K (0.59) SMN1; SMN2ALDH1A1ATML3MBTL1EEF2K
SCHEMBL11103819 0.74 L3MBTL1 (0.53) SMN1; SMN2ALDH1A1ATML3MBTL1EEF2K
SCHEMBL6366642 0.73 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1ATML3MBTL1CYP1A2
SCHEMBL13588576 0.73 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6653350 0.73 FBP1 (0.49) SMN1; SMN2ALDH1A1ATML3MBTL1CA12
SCHEMBL8898417 0.73 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1ATML3MBTL1CYP1A2

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-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed