SCHEMBL4379375

SCHEMBL4379375

CC(C)C(=O)OOC(C)(C)C.O=C(OOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
PPARA Q07869 3/20 0.39
PMP22 Q01453 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 2/20 0.39
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABCB11 O95342 2/20 0.39
HTR2A P28223 2/20 0.39
PPARG P37231 2/20 0.39
MEN1 O00255 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL7652795 0.87 ALDH1A1 (0.54) TSHRALDH1A1GAACYP2C19LMNA
SCHEMBL11422805 0.85 ALDH1A1 (0.67) TSHRALDH1A1TDP1HSD17B10GAA
Benzoyl Peroxide SCHEMBL26925335 0.84 TDP1 (0.72) TSHRALDH1A1TDP1HSD17B10CYP2C19
SCHEMBL2316073 0.79 ALDH1A1 (0.53) TSHRALDH1A1TDP1HSD17B10GAA
SCHEMBL11126724 0.76 TSHR (0.80) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL22115811 0.76 CES2 (0.59) TSHRALDH1A1GAACYP2C19LMNA
SCHEMBL22619 0.76 CES2 (0.59) TSHRALDH1A1GAACYP2C19LMNA
SCHEMBL21417 0.76 TSHR (0.39) TSHRALDH1A1TDP1HSD17B10ELANE
SCHEMBL27341553 0.76 ALDH1A1 (0.62) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL27660831 0.75 ALDH1A1 (0.56) TSHRALDH1A1TDP1GAACYP3A4

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
EP-1115765-B1 GRAFTING OF ETHYLENICALLY UNSATURATED MONOMERS ONTO POLYMERS CIBA HOLDING INC (CH) 2009-06-24 EP claimed