SCHEMBL9736299

SCHEMBL9736299

CCCOCC(O)CCO

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 2/20 0.42
LPAR5 Q9H1C0 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.36
PLA2G2C Q5R387 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CASR P41180 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL13966358 0.89 USP2 (0.60) HSD17B10USP2TDP1HTTCYP1A2
SCHEMBL2853366 0.89 USP2 (0.60) HSD17B10USP2TDP1HTTCYP1A2
SCHEMBL10435643 0.87 USP2 (0.69) HSD17B10USP2HTTCYP1A2CYP3A4
SCHEMBL29049258 0.86 HSD17B10 (0.52) HSD17B10USP2TDP1HTTCYP1A2
SCHEMBL9719570 0.86 ALDH1A1 (0.48) HSD17B10USP2TDP1HTTCYP1A2
SCHEMBL21046028 0.86 USP2 (0.72) HSD17B10USP2HTTCYP1A2CYP3A4
SCHEMBL21046021 0.86 USP2 (0.72) HSD17B10USP2HTTCYP1A2CYP3A4
SCHEMBL21046007 0.86 USP2 (0.72) HSD17B10USP2HTTCYP1A2CYP3A4
SCHEMBL21046017 0.86 USP2 (0.72) HSD17B10USP2HTTCYP1A2CYP3A4
SCHEMBL21046012 0.86 USP2 (0.72) HSD17B10USP2HTTCYP1A2CYP3A4

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
CN-107922585-B Low emission epoxy resin composition SIKA技术股份公司 2021-11-23 CN disclosed
US-5162552-A PREPARATION OF 4-ACETALS OF BUTENE-1,4-DIAL AND NOVEL ACETALS OF BUTENE-1,4-DIAL BASF AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed