SCHEMBL7952802

SCHEMBL7952802

COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.72
BDKRB2 P30411 2/20 0.69

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
SCHEMBL8182135 0.93 RORC (0.63) RORCBDKRB2
SCHEMBL3743960 0.92 RORC (0.83) RORCBDKRB2
SCHEMBL6946090 0.92 RORC (0.83) RORCBDKRB2
SCHEMBL8028426 0.91 RORC (0.86) RORC
SCHEMBL7954314 0.89 RORC (0.59) RORCBDKRB2
SCHEMBL7954312 0.89 RORC (0.59) RORCBDKRB2
SCHEMBL8040369 0.89 BDKRB2 (0.74) RORCBDKRB2
SCHEMBL7720598 0.89 RORC (0.66) RORCBDKRB2
SCHEMBL6945138 0.89 BDKRB2 (0.78) RORCBDKRB2
SCHEMBL7951569 0.88 RORC (0.64) RORCBDKRB2

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