SCHEMBL9326090

SCHEMBL9326090

CCC(C)C(=O)c1ccc(-c2ccccc2CC(CC)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
PPARG P37231 10/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
PPARA Q07869 7/20 0.43
EPHX2 P34913 3/20 0.42
PPARD Q03181 2/20 0.42
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
MMP15 P51511 1/20 0.39

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
SCHEMBL1582615 0.85 KMT2A (0.67) KMT2APPARGMMEACECPA1
SCHEMBL9326086 0.82 PPARA (0.43) KMT2APPARGMMEACECPA1
SCHEMBL9327562 0.81 MMP2 (0.45) KMT2APPARGMMEACECPA1
SCHEMBL4558930 0.77 SMN1; SMN2 (0.56) KMT2ALMNAHSD17B10
SCHEMBL10456833 0.77 KMT2A (0.52) KMT2APPARGMMEACECPA1
SCHEMBL10599131 0.76 LMNA (0.45) KMT2ALMNAHSD17B10
SCHEMBL9717258 0.76 SMN1; SMN2 (0.51) LMNAHSD17B10
SCHEMBL19502669 0.75 CYP1A2 (0.57) KMT2APPARGCPA1PPARAEPHX2
SCHEMBL9146894 0.74 KMT2A (0.51) KMT2APPARGMMEACECPA1
SCHEMBL1582617 0.74 KMT2A (0.58) KMT2APPARGMMEACECPA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342666-B1 Novel biphenyl compounds, method of producing the same as well as liquid crystal compositions and light switching elements each containing the same NIPPON MINING CO (JP) 1994-03-09 EP disclosed