SCHEMBL7147107

SCHEMBL7147107

CCc1ccccc1COC(=O)OC(=O)OCc1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
SOAT1 P35610 1/20 0.43
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL1790177 0.92 CYP4F2 (0.49) CYP4F2CYP4A11GABRA1GABRB2TSHR
SCHEMBL2623832 0.84 ALDH1A1 (0.46) CYP4F2CYP4A11GABRA1GABRB2TSHR
SCHEMBL1790178 0.82 ALDH1A1 (0.44) CYP4F2CYP4A11GABRA1GABRB2TSHR
SCHEMBL11580414 0.82 ALDH1A1 (0.59) CYP4F2CYP4A11GABRA1GABRB2TSHR
SCHEMBL19383017 0.80 CYP1A2 (0.43) CYP4F2CYP4A11GABRA1GABRB2TSHR
SCHEMBL8422977 0.80 GAA (0.43) CYP4F2CYP4A11GABRA1GABRB2TSHR
SCHEMBL8158167 0.80 ALDH1A1 (0.57) CYP4F2CYP4A11GABRA1GABRB2TSHR
SCHEMBL17938470 0.79 ALDH1A1 (0.48) CYP4F2CYP4A11TSHRMAPTRAB9A
SCHEMBL226266 0.78 TSHR (0.62) TSHRNPC1ALDH1A1L3MBTL1KDM4E
SCHEMBL9389206 0.77 CYP4F2 (0.47) CYP4F2CYP4A11TSHRALDH1A1L3MBTL1

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-0951085-B1 Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells GREATBATCH W LTD (US) 2003-01-29 EP claimed