SCHEMBL20103648

SCHEMBL20103648

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
PGK1 P00558 4/20 0.36
PGK2 P07205 4/20 0.36
PTPN1 P18031 2/20 0.32
CTRB1 P17538 1/20 0.32
ACP3 P15309 1/20 0.32
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21644920 0.90 FFAR1 (0.48) FFAR1PGK1PGK2ACP3MEN1
SCHEMBL21644921 0.90 FFAR1 (0.48) FFAR1PGK1PGK2ACP3MEN1
SCHEMBL21688303 0.85 FFAR1 (0.46) FFAR1CTRB1MEN1KMT2A
SCHEMBL20103532 0.85 FFAR1 (0.46) FFAR1CTRB1MEN1KMT2A
SCHEMBL20103560 0.84 FFAR1 (0.44) FFAR1CTRB1MEN1KMT2A
SCHEMBL20103443 0.79 FFAR1 (0.44) FFAR1
SCHEMBL20103527 0.79 FFAR1 (0.44) FFAR1
SCHEMBL20103446 0.79 FFAR1 (0.44) FFAR1
SCHEMBL21688395 0.78 FFAR1 (0.43) FFAR1
SCHEMBL20103672 0.78 FFAR1 (0.57) 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