SCHEMBL9613744

SCHEMBL9613744

CCCOCC(COC)OCCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
LPAR1 Q92633 9/20 0.41
LPAR3 Q9UBY5 9/20 0.41
LPAR2 Q9HBW0 6/20 0.41
LPAR6 P43657 5/20 0.41
LPAR4 Q99677 5/20 0.41
LPAR5 Q9H1C0 5/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17213542 0.96 TSHR (0.46) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL12024300 0.94 TSHR (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL13563001 0.89 TSHR (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL27424769 0.88 USP2 (0.46) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL14642724 0.87 LPAR1 (0.39) LPAR1LPAR3LPAR2LPAR6LPAR4
SCHEMBL12418703 0.87 LPAR1 (0.42) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL209403 0.87 HSD17B10 (0.50) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL18544663 0.85 LPAR1 (0.42) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL17213404 0.85 USP2 (0.47) HSD17B10LPAR1LPAR3LPAR2LPAR6
SCHEMBL14642721 0.85 ALDH1A1 (0.48) LPAR1LPAR3LPAR2LPAR6LPAR4

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-5164124-A Preparation of ethylene and propylene oxide adducts, nonionic surfactants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-11-17 US disclosed