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SCHEMBL7959968

SCHEMBL7959968

COc1cc(C)ccc1C(C)C(=O)NC1(C(=O)O)CCC(C)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 14/20 0.42
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL7960053 0.92 LPAR1 (0.42) LPAR1ALDH1A1CYP3A4KMT2A
SCHEMBL8697877 0.89 LPAR1 (0.44) LPAR1ALDH1A1CYP3A4KMT2A
SCHEMBL7958050 0.87 LPAR1 (0.43) LPAR1ALDH1A1CYP3A4KMT2A
SCHEMBL8701728 0.85 LPAR1 (0.43) LPAR1ALDH1A1CYP3A4KMT2A
SCHEMBL7964393 0.85 LPAR1 (0.43) LPAR1ALDH1A1CYP3A4KMT2A
SCHEMBL7961944 0.84 LPAR1 (0.43) LPAR1ALDH1A1CYP3A4
SCHEMBL7961796 0.84 LPAR1 (0.45) LPAR1KMT2AMEN1
SCHEMBL7964480 0.84 CXCR5 (0.38) LPAR1ALDH1A1KMT2AMEN1
SCHEMBL7960149 0.84 LPAR1 (0.42) LPAR1ALDH1A1CYP3A4KMT2A
SCHEMBL8704918 0.83 LPAR1 (0.45) LPAR1

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-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 — — US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 — — US disclosed