SCHEMBL17860722

SCHEMBL17860722

CCC(C)(C)C(=O)OCCI

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
HMGCR P04035 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
TSHR P16473 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL824523 0.86 CYP4F2 (0.41) CYP4F2CYP4A11HMGCRCHRM2CHRM4
SCHEMBL2179864 0.84 CYP4F2 (0.39) CYP4F2CYP4A11HMGCR
SCHEMBL13667082 0.82 CYP4F2 (0.42) CYP4F2CYP4A11TSHRACHE
SCHEMBL1105061 0.82 HCAR2 (0.39) CYP4F2CYP4A11HMGCRCHRM1TSHR
SCHEMBL9883777 0.80 CYP4F2 (0.41) CYP4F2CYP4A11HMGCRCHRM2CHRM4
SCHEMBL13667073 0.80 CYP4F2 (0.46) CYP4F2CYP4A11TSHRACHE
SCHEMBL75751 0.80 CYP4F2 (0.46) CYP4F2CYP4A11HMGCRCHRM2CHRM4
SCHEMBL10686206 0.79 POLB (0.43) CYP4F2CYP4A11
SCHEMBL837877 0.78 TSHR (0.38) CYP4F2CYP4A11HMGCRCHRM2CHRM4
SCHEMBL2680639 0.78 CYP4F2 (0.40) CYP4F2CYP4A11HMGCRCHRM2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070110-A1 POLYMERS HAVING ORTHOGONAL REACTIVE GROUPS AND USES THEREOF NVS Technologies Inc. (US) 2016-09-21 EP disclosed
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed