SCHEMBL11036651

SCHEMBL11036651

NC(=O)CC[C@H](NCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.46
▸ ECE1 P42892 1/20 0.46
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ACE P12821 1/20 0.42

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
SCHEMBL29336433 0.89 FOLH1 (0.51) MMEECE1ITGA4ITGB7TRPM8
SCHEMBL5464416 0.89 FOLH1 (0.51) MMEECE1ITGA4ITGB7TRPM8
SCHEMBL30689135 0.86 MME (0.47) MMEECE1SMN1; SMN2POLBKMT2A
SCHEMBL461572 0.84 KMT2A (0.54) CA1CA2KMT2A
SCHEMBL461571 0.84 KMT2A (0.54) CA1CA2KMT2A
SCHEMBL28993693 0.83 MME (0.56) MMEECE1SMN1; SMN2
SCHEMBL4919347 0.83 MME (0.56) MMEECE1SMN1; SMN2
SCHEMBL29682481 0.83 MME (0.56) MMEECE1SMN1; SMN2
SCHEMBL4919342 0.83 MME (0.56) MMEECE1SMN1; SMN2
SCHEMBL24978636 0.82 TACR1 (0.56) MMEECE1SMN1; SMN2POLBCA12

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
JP-59130256-A — — None — — JP disclosed
JP-S59130256-A NOVEL ACYLGLUTAMIC ACID DERIVATIVE FUJISAWA PHARMACEUT CO LTD 1984-07-26 — — JP disclosed
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