SCHEMBL9609004

SCHEMBL9609004

NC(=O)[C@@H]1CCN2CCCCC(=O)N12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL9611954 0.80 BRD4 (0.37)
SCHEMBL8277961 0.78 ACE (0.44)
SCHEMBL29382141 0.73 ACE (0.40) TSHRLMNACA12CA1CA2
SCHEMBL11203587 0.69 ACE (0.46)
SCHEMBL28372145 0.64 SMN1; SMN2 (0.52)
SCHEMBL2640855 0.63 AR (0.33) CA12CA1CA2CA9
SCHEMBL31110557 0.63 ALDH1A1 (0.44) LMNA
SCHEMBL7344670 0.62 ACE (0.46) TSHRCA2
SCHEMBL7344675 0.62 ACE (0.46) TSHRCA2
SCHEMBL4702017 0.62 LMNA (0.52) TSHRLMNACA12CA1CA2

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-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed