SCHEMBL9854090

SCHEMBL9854090

CC(C)Cc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ SRD5A2 P31213 3/20 0.47
▸ PTGS1 P23219 5/20 0.46
▸ PTGS2 P35354 5/20 0.46
▸ CXCR1 P25024 4/20 0.46
▸ CXCR2 P25025 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ SLC22A6 Q4U2R8 2/20 0.46
▸ CXCL8 P10145 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5018743 0.87 PTGS1 (0.55) ATML3MBTL1SRD5A2PTGS1PTGS2
SCHEMBL21064585 0.83 PTGS1 (0.57) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL6072390 0.82 ATM (0.57) ATMTDP1L3MBTL1SRD5A2PTGS1
SCHEMBL765921 0.82 FOLH1 (0.61) —
SCHEMBL27959311 0.81 PTGS1 (0.60) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL452233 0.81 PTGS1 (0.60) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL10483031 0.80 L3MBTL1 (0.47) ATMTDP1L3MBTL1CA1CA2
SCHEMBL21887389 0.79 L3MBTL1 (0.53) ATMTDP1L3MBTL1CA1CA2
SCHEMBL110317 0.79 SRD5A2 (0.74) ATMTDP1L3MBTL1CA1CA2
SCHEMBL8792890 0.79 MRGPRX4 (0.52) PTGS1PTGS2CXCR1CXCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 — — EP disclosed
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