SCHEMBL9181580

SCHEMBL9181580

CC(/C=C/CNc1ccccc1C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 5/20 0.46
RAB9A P51151 2/20 0.46
AGTR1 P30556 1/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.42
DHODH Q02127 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MASP2 O00187 1/20 0.41
TRPA1 O75762 1/20 0.41
CLCN2 P51788 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PLK1 P53350 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL9182538 0.78 KDM4E (0.52) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL7188346 0.78 KDM4E (0.52) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL9178959 0.78 KDM4E (0.52) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL28874213 0.76 ALDH1A1 (0.57) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL11500237 0.75 ALDH1A1 (0.53) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL3254206 0.75 ALDH1A1 (0.53) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL8984846 0.74 ALDH1A1 (0.56) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL7565349 0.74 ALDH1A1 (0.59) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL587283 0.72 ALDH1A1 (0.57) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL1899470 0.72 KDM6B (0.62) HPGDALDH1A1HSD17B10KDM4ERAB9A

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-0501031-B1 Perfuming agent FIRMENICH & CIE (CH) 1995-09-06 EP claimed