Sugi Predict

Sugi Predict / Compounds / SCHEMBL7945797

SCHEMBL7945797

SCHEMBL7945797

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCCN(C=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c3Cl)c2n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 9/20 0.54
▸ RORC P51449 11/20 0.53
▸ BDKRB1 P46663 1/20 0.49

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
SCHEMBL7811150 0.98 BDKRB2 (0.55) BDKRB2RORCBDKRB1
SCHEMBL7818233 0.96 RORC (0.55) BDKRB2RORCBDKRB1
SCHEMBL7815139 0.90 BDKRB2 (0.54) BDKRB2RORCBDKRB1
SCHEMBL7812380 0.90 BDKRB2 (0.66) BDKRB2RORC
SCHEMBL7814889 0.90 BDKRB2 (0.61) BDKRB2RORCBDKRB1
SCHEMBL7805379 0.89 RORC (0.52) BDKRB2RORC
SCHEMBL7814772 0.89 BDKRB2 (0.63) BDKRB2RORCBDKRB1
SCHEMBL7812410 0.89 BDKRB2 (0.63) BDKRB2RORCBDKRB1
SCHEMBL7815251 0.89 BDKRB2 (0.50) BDKRB2RORC
SCHEMBL7956402 0.88 RORC (0.51) BDKRB2RORC

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
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 — — US disclosed