SCHEMBL8948314

SCHEMBL8948314

CCCCCC(C)C1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
HPGD P15428 3/20 0.37
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 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
SCHEMBL18825678 0.98 EPHX1 (0.40) EPHX1HPGDOPRM1ALDH1A1SMN1; SMN2
SCHEMBL172845 0.98 EPHX1 (0.40) EPHX1HPGDOPRM1ALDH1A1SMN1; SMN2
SCHEMBL9376107 0.95 EPHX1 (0.36) EPHX1HPGDOPRM1ALDH1A1
SCHEMBL9720176 0.94 HPGD (0.38) EPHX1HPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11777433 0.90 HPGD (0.39) HPGDALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL11743390 0.89 HPGD (0.34) EPHX1HPGDALDH1A1
SCHEMBL11730302 0.89 EPHX1 (0.48) EPHX1OPRM1ALDH1A1
SCHEMBL27811789 0.89 EPHX1 (0.48) EPHX1OPRM1ALDH1A1
SCHEMBL11741223 0.85 HPGD (0.35) HPGDALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL19333960 0.81 EPHX1 (0.41) EPHX1HPGDALDH1A1

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
US-5510326-A SYNTHETIC ODORANT; PERFUMES GIVAUDAN-ROURE CORPORATION (US) 1996-04-23 US disclosed