SCHEMBL7958367

SCHEMBL7958367

CCCC(C)(NC(=O)C(C)c1ccc(C)cc1OC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C9 P11712 2/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
ADRA1A P35348 1/20 0.37
PPARG P37231 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL7959929 0.91 LPAR1 (0.43) LPAR1KDM4EALDH1A1SMN1; SMN2NPBWR1
SCHEMBL7960040 0.83 LPAR1 (0.48) LPAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8701833 0.82 LPAR1 (0.46) LPAR1KDM4EALDH1A1SMN1; SMN2NPBWR1
SCHEMBL7961953 0.82 GPR88 (0.37) CYP1A2TSHR
SCHEMBL7964513 0.82 LPAR1 (0.43) LPAR1KDM4EALDH1A1L3MBTL1NPC1
SCHEMBL7960940 0.78 LPAR1 (0.48) LPAR1KMT2ANPC1RAB9AGPR139
SCHEMBL7957895 0.78 LPAR1 (0.46) LPAR1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7957914 0.77 TAS1R3 (0.44) LPAR1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL27461093 0.75 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1CYP2C9TTR
SCHEMBL7960761 0.75 GPR88 (0.49) L3MBTL1KMT2A

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