SCHEMBL14939042

SCHEMBL14939042

Cc1c(C(=O)O)cc(O)c2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
THRB P10828 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CXCL12 P48061 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL7596065 0.79 THRB (0.67) THRBKDM4EMEN1KMT2AALDH1A1
SCHEMBL6652410 0.78 KDM4E (0.52) KDM4EALDH1A1CA1CA2LMNA
SCHEMBL2805618 0.76 DHODH (0.43) KEAP1THRBKDM4EMEN1KMT2A
SCHEMBL14914434 0.75 KEAP1 (0.42) KEAP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2466414 0.73 RXFP1 (0.46) THRBKDM4EMEN1KMT2AALDH1A1
SCHEMBL10015552 0.71 CYP1A2 (0.50) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL29771961 0.71 KEAP1 (0.42) KEAP1THRBKDM4EMEN1KMT2A
SCHEMBL28857296 0.71 KEAP1 (0.42) KEAP1THRBKDM4EMEN1KMT2A
SCHEMBL18186580 0.71 HSD17B1 (0.46) KEAP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL188203 0.70 ALDH1A1 (0.61) KEAP1KDM4EMEN1KMT2AALDH1A1

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
WO-2013068322-A1 ALKENYL NAPHTHYLACETIC ACIDS FOR TREATING RESPIRATORY DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO disclosed