SCHEMBL7959979

SCHEMBL7959979

CC(C)CCN(C[C@@H](O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.44
SPPL2A Q8TCT8 2/20 0.43
TAS2R14 Q9NYV8 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BACE1 P56817 2/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 2/20 0.39

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
SCHEMBL7959974 1.00 RORC (0.44) RORCSPPL2ATAS2R14MEN1KMT2A
SCHEMBL2576474 1.00 RORC (0.44) RORCSPPL2ATAS2R14MEN1KMT2A
SCHEMBL2578910 0.93 TAS2R14 (0.47) RORCSPPL2ATAS2R14MEN1KMT2A
SCHEMBL2582931 0.93 TAS2R14 (0.47) RORCSPPL2ATAS2R14MEN1KMT2A
SCHEMBL2581281 0.91 TAS2R14 (0.51) TAS2R14BACE1
SCHEMBL2582413 0.91 SPPL2A (0.52) RORCSPPL2ATAS2R14
SCHEMBL2578860 0.90 MAPK1 (0.47) RORCSPPL2AMEN1KMT2AMAPT
SCHEMBL2587456 0.90 CA12 (0.48) RORCTAS2R14MEN1KMT2ABACE1
SCHEMBL2578820 0.89 RXFP1 (0.45) RORCTAS2R14MEN1KMT2ABACE1
SCHEMBL2578314 0.89 MEN1 (0.42) RORCSPPL2AMEN1KMT2A

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