SCHEMBL10798501

SCHEMBL10798501

CCCCCCCCCCCCCCCCCCC(O)COCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CSNK1E P49674 1/20 0.50
MAPK1 P28482 1/20 0.47
CETP P11597 3/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL30342950 1.00 CA1 (0.57) CA1CA2CA7CA9CSNK1E
SCHEMBL31287893 1.00 CA1 (0.57) CA1CA2CA7CA9CSNK1E
SCHEMBL31362241 1.00 CA1 (0.57) CA1CA2CA7CA9CSNK1E
SCHEMBL10844759 1.00 CA1 (0.57) CA1CA2CA7CA9CSNK1E
SCHEMBL9661280 1.00 CA1 (0.57) CA1CA2CA7CA9CSNK1E
SCHEMBL9662621 0.98 CA1 (0.58) CA1CA2CA7CA9CSNK1E
SCHEMBL10800338 0.88 CA1 (0.51) CA1CA2CA7CA9CSNK1E
SCHEMBL14040676 0.87 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL10511102 0.87 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL23533573 0.86 CSNK1E (0.49) CA1CA2CA7CA9CSNK1E

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-4673672-A ANTITUMOR AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1987-06-16 US disclosed
US-4619917-A PLATELET ACTIVATING FACTOR INHIBITORS SANDOZ PHARM. CORP. (US) 1986-10-28 US disclosed