SCHEMBL11269945

SCHEMBL11269945

CC(O)C(C)COCC(C)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.31
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
SCHEMBL9151607 0.91 HSD17B10 (0.33) HSD17B10KDM4ETSHRALDH1A1
SCHEMBL9153895 0.85
SCHEMBL27825045 0.81 HSD17B10 (0.35) HSD17B10KDM4EMAPK1
SCHEMBL9153415 0.81 HSD17B10 (0.65) HSD17B10KDM4ETDP1TSHRLMNA
SCHEMBL9153864 0.81 HSD17B10 (0.65) HSD17B10KDM4ETDP1TSHRLMNA
SCHEMBL9153397 0.81 TSHR (0.41) HSD17B10KDM4ETDP1TSHR
SCHEMBL12320383 0.78
SCHEMBL9150885 0.78
SCHEMBL9149444 0.78
SCHEMBL9152899 0.77 USP2 (0.48) HSD17B10KDM4ETDP1TSHRALDH1A1

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
US-4330452-A Plasticizers for polyvinylchloride comprising a reaction product of alkanedicarboxic acid and alkanolether THE DOW CHEMICAL COMPANY (US) 1982-05-18 US claimed
US-4330452-A Plasticizers for polyvinylchloride comprising a reaction product of alkanedicarboxic acid and alkanolether THE DOW CHEMICAL COMPANY (US) 1982-05-18 US disclosed