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Sugi Predict / Compounds / SCHEMBL7960019

SCHEMBL7960019

SCHEMBL7960019

COC(=O)C1(NC(=O)C(C)c2ccc(C)cc2OC)CCC(C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 14/20 0.43
▸ CYP3A4 P08684 3/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8701728 0.92 LPAR1 (0.43) LPAR1CYP3A4KMT2AALDH1A1
SCHEMBL7949978 0.90 LPAR1 (0.44) LPAR1CYP3A4KMT2AALDH1A1
SCHEMBL7960883 0.89 LPAR1 (0.43) LPAR1CYP3A4KMT2AALDH1A1
SCHEMBL7964602 0.88 LPAR1 (0.43) LPAR1CYP3A4KMT2A
SCHEMBL7961786 0.88 LPAR1 (0.45) LPAR1CYP3A4
SCHEMBL7964523 0.88 LPAR1 (0.42) LPAR1CYP3A4KMT2AALDH1A1
SCHEMBL7960240 0.87 LPAR1 (0.45) LPAR1L3MBTL1
SCHEMBL7960904 0.87 LPAR1 (0.45) LPAR1L3MBTL1
SCHEMBL7949836 0.87 LPAR1 (0.45) LPAR1L3MBTL1
SCHEMBL7960053 0.85 LPAR1 (0.42) LPAR1CYP3A4KMT2AALDH1A1L3MBTL1

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