SCHEMBL13639307

SCHEMBL13639307

COc1ccc(F)cc1-c1ccc2c(c1COC(=O)C1CC=C(C)S1)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.59
CREBBP Q92793 1/20 0.33
CCNT1 O60563 11/20 0.32
CDK9 P50750 11/20 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
SCHEMBL12533076 0.89 IL6 (0.52) IL6
SCHEMBL14015566 0.87 IL6 (0.58) IL6CREBBPCCNT1CDK9
SCHEMBL13639304 0.87 IL6 (0.54) IL6
SCHEMBL12533028 0.85 IL6 (0.51) IL6
SCHEMBL13639302 0.84 IL6 (0.49) IL6
SCHEMBL13639338 0.84 IL6 (0.51) IL6
SCHEMBL13478141 0.84 IL6 (0.47) IL6
SCHEMBL13639303 0.83 IL6 (0.47) IL6
SCHEMBL13639351 0.83 IL6 (0.46) IL6
SCHEMBL14015601 0.82 IL6 (0.46) IL6

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-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed