SCHEMBL7960296

SCHEMBL7960296

COc1cc(C)ccc1C(C)C(=O)NC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.50
GPR139 Q6DWJ6 2/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7094318 0.86 LPAR1 (0.48) LPAR1GPR139MEN1ALDH1A1MAPT
SCHEMBL7961934 0.83 LPAR1 (0.46) LPAR1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL7950092 0.83 MAPK1 (0.53) LPAR1ALDH1A1
SCHEMBL6988655 0.82 KMT2A (0.49) LPAR1ALDH1A1KMT2A
SCHEMBL6988658 0.82 KMT2A (0.49) LPAR1ALDH1A1KMT2A
SCHEMBL2063733 0.79 LPAR1 (0.50) LPAR1NPC1RAB9A
SCHEMBL7960040 0.78 LPAR1 (0.48) LPAR1GPR139MEN1ALDH1A1MAPT
SCHEMBL7960940 0.76 LPAR1 (0.48) LPAR1GPR139KMT2ANPC1RAB9A
SCHEMBL8701833 0.76 LPAR1 (0.46) LPAR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL7961796 0.75 LPAR1 (0.45) LPAR1MEN1KMT2A

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