SCHEMBL9538124

SCHEMBL9538124

CC(=O)NC1CCc2cc(Oc3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
NPC1 O15118 1/20 0.47
TAOK1 Q7L7X3 1/20 0.46
TAOK3 Q9H2K8 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PKM P14618 1/20 0.45
FAAH O00519 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PPARD Q03181 2/20 0.44
LIPG Q9Y5X9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ACACB O00763 1/20 0.43

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
SCHEMBL4710772 0.84 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL9487513 0.82 HRH3 (0.44) NPC1TAOK1TAOK3PKMFAAH
SCHEMBL10586399 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8029932 0.77 PDPK1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL600676 0.77 PDPK1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2466144 0.77 PDPK1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1988494 0.77 PDPK1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL10586238 0.76 CA1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL14277944 0.76 TAS1R3 (0.64) CA12CA1CA2CA7CA9
SCHEMBL608095 0.76 TAS1R3 (0.64) CA12CA1CA2CA7CA9

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
EP-0525111-A1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS. PFIZER (US) 1993-02-03 EP claimed
WO-1991016298-A1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS PFIZER INC (US) 1991-10-31 WO claimed