SCHEMBL9622006

SCHEMBL9622006

CCOC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
PPARG P37231 2/20 0.53
MMP8 P22894 1/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.49
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
PIN1 Q13526 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CPA1 P15085 2/20 0.44
CPA3 P15088 2/20 0.44
FOLH1 Q04609 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7436477 1.00 EPHX2 (0.53) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL7436470 1.00 EPHX2 (0.53) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL9622141 0.87 CYP1A2 (0.61) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL7436656 0.87 CYP1A2 (0.61) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL7436651 0.87 CYP1A2 (0.61) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL10521821 0.87 MMP8 (0.61) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL8345051 0.86 HSD17B10 (0.56) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL14874554 0.86 HSD17B10 (0.56) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL13262220 0.84 EPHX2 (0.56) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL15479082 0.83 PPARG (0.58) EPHX2PPARGMMP8MEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP disclosed