SCHEMBL8951016

SCHEMBL8951016

CC(C)=CCSOSCC=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.42
KMT2A Q03164 1/20 0.31

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
SCHEMBL7529589 0.71 NOS1 (0.48) NOS1KMT2A
SCHEMBL7755092 0.71 NOS1 (0.48) NOS1KMT2A
SCHEMBL87750 0.69
SCHEMBL25434106 0.67 NOS1 (0.44) NOS1KMT2A
SCHEMBL1017648 0.67
SCHEMBL30242014 0.65
SCHEMBL3506726 0.63
SCHEMBL22768260 0.63
SCHEMBL25385201 0.63
SCHEMBL1016635 0.63

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512683-A OSTEOPOROSIS, IMMUNOSUPPRESSANT HOFFMANN-LA ROCHE INC. (US) 1996-04-30 US disclosed
US-5391766-A Antiarthritic agents for rheumatoid, immunosuppressants; treating psoriasis, autoimmune diseases HOFFMANN-LA ROCHE INC. (US) 1995-02-21 US disclosed