SCHEMBL365325

SCHEMBL365325

Cc1ccc(CCCc2cc(C(=O)O)ccc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.53
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AKR1C3 P42330 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
SRD5A2 P31213 1/20 0.42
SLC16A3 O15427 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LPAR1 Q92633 1/20 0.42

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
SCHEMBL369805 0.88 CYP4A11 (0.50) RARBFFAR1FFAR4MEN1KMT2A
SCHEMBL370894 0.84 RARB (0.46) RARBMEN1KMT2AALDH1A1SLC16A3
SCHEMBL29488620 0.82 RARB (0.52) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL29488619 0.82 RARB (0.52) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL15741313 0.82 RARB (0.52) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL7147421 0.80 RARB (0.60) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8769252 0.80 RARB (0.60) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL10596391 0.80 RARB (0.60) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8769316 0.80 RARB (0.60) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8769281 0.80 RARB (0.60) RARBMEN1KMT2AALDH1A1RARA

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