SCHEMBL7960075

SCHEMBL7960075

COc1ccc(C(C)C(=O)NC(CC(C)C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.59
MME P08473 3/20 0.52
ANPEP P15144 2/20 0.52
MMP1 P03956 2/20 0.51
FOLH1 Q04609 2/20 0.49
ACE P12821 1/20 0.49
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL6480017 0.86 ANPEP (0.50) MMEANPEPMMP1FOLH1MMP2
SCHEMBL24045918 0.82 CXCR1 (0.62) MMEFOLH1
SCHEMBL3151143 0.82 CXCR1 (0.62) MMEFOLH1
SCHEMBL24045928 0.82 CXCR1 (0.62) MMEFOLH1
SCHEMBL7958317 0.81 GPR88 (0.62) GPR88MME
SCHEMBL3143530 0.81 GPR88 (0.62) GPR88MME
SCHEMBL7959921 0.81 ALDH1A1 (0.48) MMEANPEPMMP1
SCHEMBL28022564 0.80 CTSS (0.64) CTSLCTSS
SCHEMBL6403555 0.79 HTT (0.58) ANPEPMMP1FOLH1MMP2MMP3
SCHEMBL15251955 0.79 HTT (0.58) ANPEPMMP1FOLH1MMP2MMP3

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