SCHEMBL7986953

SCHEMBL7986953

CCCc1nc2ccc(C(=O)c3ccccc3)cc2n1Cc1ccc(C(=O)OCC)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.69
AGTR1 P30556 5/20 0.60
AGTR2 P50052 4/20 0.60
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL8000001 0.92 PPARG (0.69) PPARGAGTR1AGTR2MEN1BLM
SCHEMBL7999940 0.91 PPARG (0.70) PPARGAGTR1AGTR2
SCHEMBL6170958 0.91 AGTR1 (0.62) PPARGAGTR1AGTR2MEN1BLM
SCHEMBL7987032 0.89 PPARG (0.79) PPARGAGTR1AGTR2
SCHEMBL6169805 0.86 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL7999989 0.85 PPARG (0.68) PPARGAGTR1AGTR2MEN1BLM
SCHEMBL6171210 0.85 AGTR1 (0.62) PPARGAGTR1AGTR2
SCHEMBL6169712 0.85 HDAC1 (0.52) PPARGMEN1KMT2A
SCHEMBL7987035 0.83 PPARG (0.70) PPARGAGTR1AGTR2
SCHEMBL6168507 0.82 PPARG (0.54) PPARGAGTR1AGTR2KMT2ASMN1; SMN2

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-6288100-B1 SUCH AS PHENYL-(2-PROPYL-1H-BENZIMIDAZOL-5-YL)-METHANONE USEFUL AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 US claimed
US-6288100-B1 SUCH AS PHENYL-(2-PROPYL-1H-BENZIMIDAZOL-5-YL)-METHANONE USEFUL AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 US disclosed