SCHEMBL11227792

SCHEMBL11227792

Cc1cc(=O)oc2cc(NC(=O)C=O)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.72
CA9 Q16790 10/20 0.72
CA1 P00915 3/20 0.72
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 5/20 0.68
RAB9A P51151 5/20 0.68
HPGD P15428 4/20 0.68
NPC1 O15118 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
HSD17B10 Q99714 2/20 0.68
GAA P10253 2/20 0.63
GLA P06280 1/20 0.63
KMT2A Q03164 2/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
MEN1 O00255 1/20 0.60

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
SCHEMBL11239562 0.89 CA12 (0.57) CA12CA9CA1KDM4EALDH1A1
SCHEMBL30862483 0.88 CA12 (0.71) CA12CA9CA1KDM4EALDH1A1
SCHEMBL7917363 0.88 CA12 (0.71) CA12CA9CA1KDM4EALDH1A1
SCHEMBL8513693 0.85 CA12 (0.81) CA12CA9CA1KDM4EALDH1A1
SCHEMBL8516165 0.84 CA12 (1.00) CA12CA9CA1KDM4EALDH1A1
SCHEMBL30449676 0.84 CA12 (1.00) CA12CA9CA1KDM4EALDH1A1
SCHEMBL12986344 0.83 KDM4E (0.74) CA12CA9CA1KDM4EALDH1A1
SCHEMBL26375305 0.83 CA9 (0.72) CA12CA9CA1KDM4EALDH1A1
SCHEMBL29435302 0.83 KDM4E (0.74) CA12CA9CA1KDM4EALDH1A1
SCHEMBL15747020 0.83 CA12 (0.76) CA12CA9CA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US claimed
US-4309353-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US disclosed