SCHEMBL9562300

SCHEMBL9562300

CC(C)(CCCO)OC(C)(C)CCCO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9770093 0.82 CYP4F2 (0.39) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL1983492 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11309325 0.80 CYP4F2 (0.42) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL3802306 0.80
SCHEMBL7808732 0.80
Ethylene Glycol SCHEMBL5608159 0.79 SMN1; SMN2 (0.43) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL28537404 0.78 CYP4F2 (0.41) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL28553710 0.78
SCHEMBL6843199 0.78 CYP4F2 (0.41) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL29043397 0.76 CYP4F2 (0.44) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1

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 7 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
CN-100532304-C Method of making and using a point defect free composition and coated products thereof HEXION SPECIALTY CHEMICALS INC (US) 2009-08-26 CN disclosed
CN-1653013-A Method of making and using a point defect free composition and coated products thereof BORDEN CHEM INC (US) 2005-08-10 CN disclosed
EP-0277322-B1 N-HYDROXYPROPYLISOPROPYL ETHER DERIVATIVES OF CHITOSAN, AND COSMETIC COMPOSITIONS CONTAINING THEM Wella Aktiengesellschaft (DE) 1993-07-07 EP disclosed
US-4923977-A TREATMENT OF HAIR AND SKIN WELLA AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
WO-1988005790-A1 N-HYDROXYPROPYLISOPROPYLETHER DERIVATIVES OF CHITOSAN AND COSMETICS CONTAINING THE SAME WELLA AKTIENGESELLSCHAFT (DE) 1988-08-11 WO disclosed
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