SCHEMBL18036622

SCHEMBL18036622

CCOC(=O)C(C)(CC)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 3/20 0.37
MMP8 P22894 2/20 0.37
PIN1 Q13526 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 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
SCHEMBL6383219 0.84 ALDH1A1 (0.46) TSHRCYP4F2CYP4A11ALDH1A1PKM
SCHEMBL561802 0.83 GAA (0.44) TSHRCYP4F2CYP4A11ALDH1A1PKM
SCHEMBL11964743 0.83 CYP2C19 (0.52) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL10017774 0.82 TSHR (0.43) TSHRCYP2D6CYP2C19HIF1AHMGCR
Ammonia Solution, Strong SCHEMBL20957487 0.82 CYP4F2 (0.44) TSHRCYP4F2CYP4A11ALDH1A1PKM
SCHEMBL12897713 0.78 PKM (0.47) TSHRCYP4F2CYP4A11ALDH1A1PKM
SCHEMBL1829725 0.78 CYP4F2 (0.50) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL12082723 0.78 CYP4F2 (0.43) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL14566870 0.77 CYP2D6 (0.38) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL17617167 0.77 CYP4F2 (0.44) TSHRCYP2C19CYP4F2CYP4A11ALDH1A1

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-20160251457-A1 SPHERICAL CARRIERS FOR OLEFIN POLYMERIZATION CATALYST, CATALYST COMPONENTS, CATALYST, AND PREPARATION METHODS THEREFOR BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-09-01 US claimed