SCHEMBL8016294

SCHEMBL8016294

CCCOC[C@H](O)CCC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 3/20 0.50
USP2 O75604 2/20 0.48
HTT P42858 1/20 0.47
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LPAR5 Q9H1C0 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CASR P41180 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
PLA2G2C Q5R387 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8016289 1.00 HSD17B10 (0.61) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL10513780 1.00 HSD17B10 (0.61) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL28464587 0.90 USP2 (0.55) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL5907150 0.89 KDM4E (0.48) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL795575 0.88 USP2 (0.48) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL7171054 0.88 USP2 (0.59) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL11034148 0.86 HSD17B10 (0.46) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL2336383 0.86 HSD17B10 (0.70) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL9736299 0.85 HSD17B10 (0.56) HSD17B10TDP1USP2HTTCYP3A4
SCHEMBL10580367 0.84 MEN1 (0.47) HSD17B10TDP1USP2HTTCYP3A4

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
US-6103517-A ECONOMICAL, SIMPLE PRODUCTION OF SECONDARY ALCOHOL CONTAINING ASSYMETRIC CARBON HAVING SUBSTITUTED METHYL GROUP AND HAVING ALKOXY AS TERMINAL GROUP BY ASSYMETRIC TRANSESTERIFICATION USING VINYL PROPIONATE AND LIPASE FROM CANDIDA ANTARCIA MITSUBISHI GAS CHEMICAL COMPANY (JP) 2000-08-15 US disclosed