SCHEMBL9407922

SCHEMBL9407922

CC(C)CCCC(OP(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TTR P02766 1/20 0.36
KCNH3 Q9ULD8 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPIA P62937 1/20 0.33
HPGD P15428 1/20 0.33
KIF11 P52732 4/20 0.33
RIPK1 Q13546 1/20 0.33
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 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
SCHEMBL268647 0.97 ALDH1A1 (0.35) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL131379 0.95 ALDH1A1 (0.34) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL28566742 0.95 ALDH1A1 (0.34) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL27515636 0.94 ALDH1A1 (0.33) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL30255675 0.87 ALDH1A1 (0.32) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL29913888 0.87 ALDH1A1 (0.32) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL9304148 0.85 KIF11 (0.38) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL11124050 0.83 GAA (0.40) MEN1KMT2AKIF11CHRM2CHRM3
SCHEMBL9446569 0.82 GAA (0.39) ALDH1A1MEN1KMT2AHTT
SCHEMBL9446572 0.82 GAA (0.39) ALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276116-A Blend of olefin-divinylbenzene copolymer with vinyl siloxane copolymer with a catalyst CONOCO INC. (US) 1994-01-04 US disclosed
US-5028574-A Coordination catalysts for producing high molecular weight addition polymers, less drag in pipelines CONOCO INC. (US) 1991-07-02 US disclosed
US-4952738-A COPOLYMER OF ALPHA OLEFINS AND DIVINYLBENZENE OR VINYL SILOXANE DISSOLVED IN A HYDROCARBON LIQUID CONOCO INC. (US) 1990-08-28 US disclosed
US-4945142-A Composition and process for friction loss reduction CONOCO INC. (US) 1990-07-31 US disclosed