SCHEMBL7871898

SCHEMBL7871898

C[C@H](O)CCCC[C@@H]1CO1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 1/20 0.33
SPHK2 Q9NRA0 4/20 0.31
SPHK1 Q9NYA1 4/20 0.31
PRKD3 O94806 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCI P41743 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCZ Q05513 2/20 0.31
PRKCD Q05655 2/20 0.31
PRKD1 Q15139 2/20 0.31

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
SCHEMBL7872734 1.00 ALDH1A1 (0.50) ALDH1A1EPHX1SPHK2SPHK1PRKD3
SCHEMBL2131155 0.84
SCHEMBL5903583 0.82 ALDH1A1 (0.48) ALDH1A1EPHX1
SCHEMBL3109490 0.82 ALDH1A1 (0.54) ALDH1A1EPHX1SPHK2SPHK1
SCHEMBL1396073 0.82 EPHX1 (0.57) ALDH1A1EPHX1SPHK2SPHK1
SCHEMBL31354499 0.81 ALDH1A1 (0.34) ALDH1A1EPHX1SPHK2SPHK1PRKD3
SCHEMBL5902983 0.80 ALDH1A1 (0.52) ALDH1A1EPHX1SPHK2SPHK1
SCHEMBL1772739 0.80 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK2SPHK1
SCHEMBL3119433 0.80 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK2SPHK1
SCHEMBL3118933 0.80 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310003-B1 Composition of chemicals for manipulating the behavior of the orange wheat blossom midge, sitodiplosis mosellana (Géhin) SIMON FRASER UNIVERSITY (CA) 2001-10-30 US claimed
US-6310003-B1 Composition of chemicals for manipulating the behavior of the orange wheat blossom midge, sitodiplosis mosellana (Géhin) SIMON FRASER UNIVERSITY (CA) 2001-10-30 US disclosed