SCHEMBL18812955

SCHEMBL18812955

CCC(=O)CCCCOCC(C)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPT P10636 1/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ SPHK1 Q9NYA1 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ LPAR5 Q9H1C0 1/20 0.36
▸ PLA2G2C Q5R387 3/20 0.35
▸ TLR2 O60603 2/20 0.33
▸ CES2 O00748 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
SCHEMBL28280296 0.86 MAPT (0.57) HSD17B10MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL12299381 0.82 TDP1 (0.43) MAPTTDP1HTTCES2
SCHEMBL27559738 0.81 CYP1A2 (0.35) HSD17B10CYP1A2CYP3A4CYP2C19TDP1
SCHEMBL29240429 0.81 ALDH1A1 (0.50) HSD17B10MAPTTDP1PLA2G2CTLR2
SCHEMBL10887831 0.79 HSD17B10 (0.67) HSD17B10MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL15831107 0.77 HSD17B10 (0.64) HSD17B10MAPTTDP1USP2SPHK1
SCHEMBL15831106 0.77 HSD17B10 (0.64) HSD17B10MAPTTDP1USP2SPHK1
SCHEMBL21795573 0.77 MAPT (0.59) HSD17B10MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL16500239 0.76 EPHX2 (0.44) MAPTTDP1CES2
SCHEMBL26016106 0.76 EPHX2 (0.44) MAPTTDP1CES2

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
EP-3165548-A1 COMPOSITION FOR COATING THE SURFACE OF A TRANSPARENT MATERIAL WEILBURGER Coatings ITALIA S.p.A. (IT) 2017-05-10 — — EP disclosed
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