SCHEMBL370156

SCHEMBL370156

Cc1ccc(C(CC(=O)c2ccnc(C)c2)c2ccc(C#CCCC(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.45
▸ MMP2 P08253 2/20 0.38
▸ MMP12 P39900 2/20 0.38
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ GABRQ Q9UN88 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
SCHEMBL363911 0.87 GPBAR1 (0.52) FFAR1MMP2MMP12GPBAR1DHFR
SCHEMBL370198 0.79 WNT3A (0.40) FFAR1GPBAR1GABRPGABRDGABRA1
SCHEMBL1390427 0.79 GPBAR1 (0.41) GPBAR1KMT2A
SCHEMBL1390129 0.78 GPBAR1 (0.49) FFAR1GPBAR1GABRPGABRDGABRA1
SCHEMBL370012 0.77 GPBAR1 (0.57) FFAR1GPBAR1
SCHEMBL362814 0.77 GPBAR1 (0.67) FFAR1GPBAR1DHFRFFAR4
SCHEMBL362813 0.77 GPBAR1 (0.67) FFAR1GPBAR1DHFRFFAR4
SCHEMBL10241023 0.77 GPBAR1 (0.67) FFAR1GPBAR1DHFRFFAR4
SCHEMBL369800 0.76 GPBAR1 (0.54) FFAR1MMP2MMP12GPBAR1
SCHEMBL1390267 0.75 GPBAR1 (0.48) GPBAR1KMT2A

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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
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