SCHEMBL11141904

SCHEMBL11141904

CC(C(=O)O)c1ccc(N=Cc2ccccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ PTGS2 P35354 5/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2C9 P11712 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ PTGS1 P23219 4/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ CXCR1 P25024 2/20 0.39
▸ CXCR2 P25025 2/20 0.39
▸ ALB P02768 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ RARB P10826 1/20 0.39

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
SCHEMBL11410869 0.82 CYP1A2 (0.54) LMNAMEN1KMT2ACYP2C9CYP1A2
SCHEMBL11415296 0.82 CYP1A2 (0.54) LMNAMEN1KMT2ACYP2C9CYP1A2
SCHEMBL11415375 0.81 PTGS2 (0.50) LMNAPTGS2MEN1KMT2ACYP2C9
SCHEMBL11415378 0.81 PTGS2 (0.50) LMNAPTGS2MEN1KMT2ACYP2C9
SCHEMBL11412348 0.78 CA2 (0.51) LMNAMEN1KMT2ACYP2C9CYP1A2
SCHEMBL11412346 0.78 CA2 (0.51) LMNAMEN1KMT2ACYP2C9CYP1A2
SCHEMBL11415370 0.78 CYP1A2 (0.48) LMNAMEN1KMT2ACYP2C9CYP1A2
SCHEMBL11415373 0.78 CYP1A2 (0.48) LMNAMEN1KMT2ACYP2C9CYP1A2
SCHEMBL11403832 0.74 PTGS2 (0.53) LMNAPTGS2CYP2C9CYP1A2SIRT2
SCHEMBL11403831 0.74 PTGS2 (0.53) LMNAPTGS2CYP2C9CYP1A2SIRT2

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-4400520-A Novel process for preparing isoindoline derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1983-08-23 — — US disclosed
EP-0047674-A1 Novel process for preparing isoindolin derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1982-03-17 — — EP disclosed
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