Sugi Predict

Sugi Predict / Compounds / SCHEMBL7956401

SCHEMBL7956401

SCHEMBL7956401

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NC4CCN(C(=O)CCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c3Cl)c2n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.51
▸ BDKRB2 P30411 10/20 0.50
▸ BDKRB1 P46663 1/20 0.46

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
SCHEMBL7815248 0.97 RORC (0.50) RORCBDKRB2
SCHEMBL7812530 0.94 RORC (0.53) RORCBDKRB2
SCHEMBL7814911 0.93 RORC (0.55) RORCBDKRB2BDKRB1
SCHEMBL7814455 0.92 BDKRB2 (0.57) RORCBDKRB2
SCHEMBL7805278 0.91 RORC (0.55) RORCBDKRB2BDKRB1
SCHEMBL7805277 0.91 RORC (0.55) RORCBDKRB2BDKRB1
SCHEMBL7818231 0.90 RORC (0.57) RORCBDKRB2BDKRB1
SCHEMBL7805316 0.90 RORC (0.54) RORCBDKRB2
SCHEMBL7811148 0.89 BDKRB2 (0.58) RORCBDKRB2BDKRB1
SCHEMBL7945796 0.89 BDKRB2 (0.57) RORCBDKRB2BDKRB1

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