SCHEMBL28066444

SCHEMBL28066444

CC(O)O.CCCOCCC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
TDP1 Q9NUW8 2/20 0.52
USP2 O75604 1/20 0.39
TSHR P16473 4/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
LPAR5 Q9H1C0 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 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
Isopropyl Alcohol SCHEMBL27971208 0.93 HSD17B10 (0.65) HSD17B10TDP1USP2TSHRHTT
SCHEMBL873890 0.90 HSD17B10 (0.62) HSD17B10TDP1USP2TSHRHTT
Propylene Glycol SCHEMBL56047 0.85 HSD17B10 (0.64) HSD17B10TDP1USP2TSHRHTT
Propylene Glycol SCHEMBL10765776 0.85 HSD17B10 (0.64) HSD17B10TDP1USP2TSHRHTT
SCHEMBL1977422 0.84 HSD17B10 (0.55) HSD17B10TDP1USP2TSHRHTT
SCHEMBL27993840 0.84 HSD17B10 (0.55) HSD17B10TDP1USP2TSHRHTT
SCHEMBL5961592 0.83 HSD17B10 (0.85) HSD17B10TDP1USP2TSHRHTT
Propylene Glycol SCHEMBL10613711 0.83 HSD17B10 (0.61) HSD17B10TDP1USP2TSHRHTT
Propylene Glycol SCHEMBL28092305 0.83 HSD17B10 (0.61) HSD17B10TDP1USP2TSHRHTT
SCHEMBL873211 0.83

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
CN-105694647-A Heat-absorbing paint 广西超星太阳能科技有限公司 2016-06-22 CN disclosed