SCHEMBL8767284

SCHEMBL8767284

CCCCCC(CC)C(O)C1CO1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SPHK2 Q9NRA0 3/20 0.34
SPHK1 Q9NYA1 3/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL8436199 0.94 ALDH1A1 (0.38) ALDH1A1
SCHEMBL23045117 0.91 ALDH1A1 (0.41) ALDH1A1SPHK2SPHK1GPR84
SCHEMBL3863886 0.79 SPHK1 (0.47) ALDH1A1SPHK2SPHK1
SCHEMBL11063153 0.76 ALDH1A1 (0.36) ALDH1A1SPHK2SPHK1
SCHEMBL51011 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1899205 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4357144 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2353837 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL52122 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL12036004 0.75 ALDH1A1 (0.43) ALDH1A1

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