SCHEMBL11445870

SCHEMBL11445870

CC(c1ccc(-c2ccc(Cl)cc2)cc1)[S+]([O-])CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.47
▸ MMP2 P08253 3/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ GABBR2 O75899 3/20 0.40
▸ GABBR1 Q9UBS5 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ BLM P54132 1/20 0.40

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
SCHEMBL11456049 0.86 FFAR1 (0.46) FFAR1MMP2MMP9MMP1MMP3
SCHEMBL11445535 0.84 L3MBTL1 (0.39) FFAR1MMP2MMP9MMP1MMP3
SCHEMBL11446013 0.74 PTGS2 (0.45) CYP2C9CYP2C19MEN1KMT2ACYP3A4
SCHEMBL11829130 0.73 ALDH1A1 (0.50) LMNAMEN1KMT2ACYP1A2TSHR
SCHEMBL11464043 0.72 FFAR1 (0.45) FFAR1MMP2MMP9MMP1MMP3
SCHEMBL11445878 0.72 FFAR1 (0.49) FFAR1GABBR2GABBR1CYP2C9LMNA
SCHEMBL11839283 0.72 DAGLA (0.42) TSHRPOLBHSD17B10
SCHEMBL11836840 0.70 MMP2 (0.46) FFAR1MMP2MMP9MMP1MMP3
SCHEMBL11445724 0.70 LMNA (0.59) FFAR1CYP2C9LMNACYP2C19MEN1
SCHEMBL11455719 0.70 ALOX5 (0.45) FFAR1MMP2MMP9MMP1MMP3

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
US-4191776-A ANTITHROMBOTICS, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DE) 1980-03-04 — — US disclosed
US-3993683-A ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-23 — — US disclosed
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