SCHEMBL6527308

SCHEMBL6527308

CCOC(=O)CCc1cccc(C#CCn2cc(C)nc2-c2ccccc2)c1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
DHFR P00374 2/20 0.35
GAA P10253 3/20 0.35
KLK7 P49862 1/20 0.35
SYK P43405 1/20 0.35
PTPN1 P18031 1/20 0.34
PARP1 P09874 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 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
SCHEMBL6510219 0.78 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL6506652 0.75 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL6528531 0.74 NOTUM (0.46) CYP4F2CYP4A11ALDH1A1KDM4EHSD17B10
SCHEMBL6528363 0.72 MAPT (0.38) CYP4F2CYP4A11ALDH1A1LMNATSHR
SCHEMBL6508554 0.72 ALDH1A1 (0.43) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL6529673 0.71 ALDH1A1 (0.49) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL6718325 0.68 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1KDM4ELMNA
SCHEMBL6528105 0.66 PPARA (0.40)
SCHEMBL26661046 0.65 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1KDM4ETSHR
SCHEMBL69660 0.64 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1KDM4ELMNA

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
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed