SCHEMBL7945958

SCHEMBL7945958

CC(C)CN(c1cccc(CC(C)CNC(=O)[C@@H](C)CS(C)(=O)=O)c1O)S(=O)(=O)c1ccc2scnc2c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.35
SPPL2A Q8TCT8 1/20 0.34

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
SCHEMBL6101123 0.85 CYP3A4 (0.37) RORC
SCHEMBL5689205 0.82 KEAP1 (0.40) RORC
SCHEMBL7765077 0.82 MMP2 (0.41) RORC
Bromide SCHEMBL5026539 0.82 MAPT (0.33) RORC
SCHEMBL6869361 0.80 ACR (0.44) RORC
SCHEMBL5928386 0.78 MAPT (0.32) RORC
Hydrochloric Acid SCHEMBL5027237 0.76 RORC (0.36) RORCSPPL2A
Hydrochloric Acid SCHEMBL6700206 0.76 CYP11B2 (0.35)
SCHEMBL7956674 0.73 KEAP1 (0.40) RORC
SCHEMBL7955245 0.73 KEAP1 (0.40) RORC

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-6169085-B1 A VIRICIDE FOR PREVENTING AND TREATING RETROVIRAL INFECTION OR THE SPREAD OF A RETROVIRUS, INHIBITING REPLICATION OF A RETROVIRUS AND TREATING AIDS G. D. SEARLE & COMPANY 2001-01-02 US disclosed