SCHEMBL20103560

SCHEMBL20103560

COC(=O)C(C)(F)[C@H](c1cccc(CBr)c1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.44
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CTRB1 P17538 1/20 0.34
CACNA1G O43497 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL21688303 0.89 FFAR1 (0.46) FFAR1CTRB1MEN1KMT2AEPHX1
SCHEMBL20103532 0.89 FFAR1 (0.46) FFAR1CTRB1MEN1KMT2AEPHX1
SCHEMBL20103648 0.84 FFAR1 (0.41) FFAR1CTRB1MEN1KMT2A
SCHEMBL20103527 0.83 FFAR1 (0.44) FFAR1
SCHEMBL20103446 0.83 FFAR1 (0.44) FFAR1
SCHEMBL20103443 0.83 FFAR1 (0.44) FFAR1
SCHEMBL21688395 0.82 FFAR1 (0.43) FFAR1EPHX1
SCHEMBL20103672 0.82 FFAR1 (0.57) FFAR1MEN1KMT2A
SCHEMBL21688298 0.81 FFAR1 (0.43) FFAR1CTRB1KMT2A
SCHEMBL21688368 0.79 FFAR1 (0.46) FFAR1MEN1KMT2A

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-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed