SCHEMBL15949195

SCHEMBL15949195

Cc1cc(/C(CC(c2ccc(-c3ccc(OC(=O)O)c(F)c3)cc2)c2ccccc2C(F)(F)F)=N/O)ccn1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.58
▸ CTSA P10619 4/20 0.35
▸ PPARD Q03181 3/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ FFAR1 O14842 2/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ WNT3A P56704 1/20 0.32
▸ MGLL Q99685 1/20 0.32

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
SCHEMBL15949076 0.90 GPBAR1 (0.72) GPBAR1CTSAFFAR1AAK1MGLL
SCHEMBL15949136 0.90 GPBAR1 (0.72) GPBAR1CTSAFFAR1AAK1MGLL
SCHEMBL15949107 0.90 GPBAR1 (0.63) GPBAR1CTSAPLK1FFAR1WNT3A
SCHEMBL1390122 0.88 GPBAR1 (0.63) GPBAR1PLK1FFAR1WNT3A
SCHEMBL362778 0.88 GPBAR1 (0.63) GPBAR1PLK1FFAR1WNT3A
SCHEMBL361985 0.86 GPBAR1 (0.78) GPBAR1CTSAPLK1RXRARXRB
SCHEMBL1389833 0.86 GPBAR1 (0.78) GPBAR1CTSAPLK1RXRARXRB
SCHEMBL15949322 0.84 GPBAR1 (0.62) GPBAR1CTSA
SCHEMBL15949257 0.84 GPBAR1 (0.53) GPBAR1CTSAFFAR1AAK1
SCHEMBL15949058 0.84 GPBAR1 (0.53) GPBAR1CTSAFFAR1AAK1

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP claimed
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