SCHEMBL8766883

SCHEMBL8766883

OCC1OC1c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
SLC6A4 P31645 5/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
PYGL P06737 1/20 0.45
KDM1A O60341 1/20 0.43
CD209 Q9NNX6 1/20 0.41
LGALS9 O00182 1/20 0.40
LGALS8 O00214 1/20 0.40
LGALS1 P09382 1/20 0.40
LGALS3 P17931 1/20 0.40
LGALS7; LGALS7B P47929 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP2 O95551 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL8772876 0.88 PYGL (0.55) PYGLCD209
SCHEMBL995764 0.88 PYGL (0.55) PYGLCD209
SCHEMBL23547703 0.83 LGALS3 (0.43) EPHX1SLC6A4SLC6A2SLC6A3PYGL
SCHEMBL11116467 0.81 SLC6A4 (0.45) EPHX1SLC6A4SLC6A2SLC6A3PYGL
SCHEMBL23547663 0.81 LGALS3 (0.47) EPHX1PYGLCD209LGALS9LGALS8
SCHEMBL23797741 0.81 LGALS3 (0.47) EPHX1PYGLCD209LGALS9LGALS8
SCHEMBL23547960 0.79 LGALS1 (0.40) EPHX1SLC6A4SLC6A2SLC6A3PYGL
SCHEMBL22333916 0.77 SLC6A4 (0.47) EPHX1SLC6A4SLC6A2SLC6A3PYGL
SCHEMBL22333917 0.77 SLC6A4 (0.47) EPHX1SLC6A4SLC6A2SLC6A3PYGL
SCHEMBL24686967 0.77 SLC6A4 (0.47) EPHX1SLC6A4SLC6A2SLC6A3PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454463-B1 Process for producing epoxyalcohols of high optical purity ARCO CHEM TECH (US) 1997-08-13 EP disclosed
EP-0422897-B1 Recovery of water-insoluble epoxy alcohols ARCO CHEM TECH (US) 1994-06-22 EP disclosed
US-5278070-A Process for producing epoxyalcohols of high optical purity ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1994-01-11 US disclosed
EP-0454463-A2 Process for producing epoxyalcohols of high optical purity ARCO Chemical Technology, L.P. (US) 1991-10-30 EP disclosed
EP-0422897-A2 Recovery of water-insoluble epoxy alcohols ARCO Chemical Technology, L.P. (US) 1991-04-17 EP disclosed
US-4935101-A Process for the recovery of a water-insoluble epoxy alcohol ARCO CHEMICAL TECHNOLOGY, INC. (US) 1990-06-19 US disclosed