SCHEMBL10588697

SCHEMBL10588697

CC(=O)NC1CCc2cc(C(=O)CCl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA7 P43166 4/20 0.56
CA14 Q9ULX7 4/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2575691 0.85 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL5739043 0.84 HTR1A (0.42) CA12CA7CA14CA1CA2
SCHEMBL29516137 0.79 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL26956102 0.79 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL10586399 0.79 CA12 (0.56) CA12CA7CA14CA1CA2
SCHEMBL12745082 0.78 CA12 (0.52) CA12CA7CA14CA1CA2
SCHEMBL10586238 0.77 CA1 (0.64) CA12CA7CA14CA1CA2
SCHEMBL599644 0.76 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL31055992 0.76 CA12 (0.67) CA12CA7CA14CA1CA2
SCHEMBL31056148 0.76 CA12 (0.67) CA12CA7CA14CA1CA2

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
EP-0330380-A2 Novel indanoxyacetic acid derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-08-30 EP disclosed