SCHEMBL10944697

SCHEMBL10944697

COc1ccc(Sc2ccc(C(=O)O)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALPL P05186 1/20 0.42
CA9 Q16790 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
PTGIR P43119 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL10941613 0.82 PTGIR (0.40) CA1CA2MMP2MMP9MMP12
SCHEMBL10944638 0.82 HPGD (0.53) ALPLALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL10938160 0.80 HPGD (0.40) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10939046 0.79 MMP2 (0.51) CA1CA2MMP2MMP9MMP12
SCHEMBL10943117 0.79 RHEB (0.52) HAO1
SCHEMBL10940994 0.75 ALPL (0.46) CA1CA2ALPLCA9MMP2
SCHEMBL6932815 0.73 CA1 (0.77) CA1CA2PTGIRALDH1A1KDM4E
SCHEMBL10938986 0.73 CA1 (0.50) CA1CA2MMP2MMP9MMP12
SCHEMBL21686703 0.72 KDM4E (0.67) CA1CA2ALPLCA9ALDH1A1
SCHEMBL10940361 0.70 MAPT (0.42) CA1CA2CA9PTGIRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed