SCHEMBL20103398

SCHEMBL20103398

CCc1cc(C2=CCC(CO)CC2)c(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35

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
SCHEMBL20103308 0.81 CCNT1 (0.42) ESR2TLR9TLR8TLR7CCNT1
SCHEMBL20103515 0.77 ESR2 (0.47) ESR2CCNT1CDK9
SCHEMBL20103296 0.71 ESR2 (0.46) ESR2CCNT1CDK9
SCHEMBL18180513 0.68 ESR2 (0.45) ESR2CCNT1CDK9
SCHEMBL20103382 0.66 ESR2 (0.46) ESR2CCNT1CDK9
SCHEMBL12186319 0.63 ESR2 (0.47) ESR2
SCHEMBL1983631 0.63
SCHEMBL14733413 0.63
SCHEMBL9406310 0.62 ESR2 (0.39) ESR2CCNT1CDK9
SCHEMBL21688373 0.61 CDK9 (0.56) CCNT1CDK9

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