SCHEMBL1684006

SCHEMBL1684006

C=C(CC(C)=CC(=O)OCC(C)C)C(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 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
SCHEMBL916115 0.87 TSHR (0.45) TSHRCYP2C19ALDH1A1LMNAELANE
SCHEMBL645426 0.85 TSHR (0.43) TSHRCYP2C19ALDH1A1LMNAELANE
SCHEMBL646900 0.85 TSHR (0.43) TSHRCYP2C19ALDH1A1LMNAELANE
Acrylic Acid SCHEMBL15775512 0.85 CYP2C19 (0.42) TSHRCYP2C19ALDH1A1LMNAELANE
SCHEMBL645585 0.84 TSHR (0.43) TSHRCYP2C19ALDH1A1LMNAELANE
Acrylic Acid SCHEMBL4888290 0.83 CYP2C19 (0.43) TSHRCYP2C19ALDH1A1LMNAELANE
SCHEMBL4940905 0.78 TSHR (0.50) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL14842784 0.78 TSHR (0.50) TSHRALDH1A1LMNAKMT2AMEN1
Acrylic Acid Ethyl Ester SCHEMBL28834563 0.76 KMT2A (0.44) CYP2C19ALDH1A1LMNAELANEKMT2A
SCHEMBL1079138 0.76 CYP2C19 (0.42) TSHRCYP2C19ALDH1A1LMNAELANE

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-7932324-B2 Block polymers and cosmetic compositions and processes comprising them L'OREAL (FR) 2011-04-26 US disclosed