SCHEMBL13323320

SCHEMBL13323320

O=C[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.57
▸ KMT2A Q03164 2/20 0.49
▸ CTSB P07858 3/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ CAPN1 P07384 2/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSH P09668 1/20 0.45
▸ CTSK P43235 1/20 0.45

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
SCHEMBL8355967 1.00 CASP3 (0.57) CASP3KMT2ACTSBMDM4TP53
SCHEMBL3039215 1.00 CASP3 (0.57) CASP3KMT2ACTSBMDM4TP53
SCHEMBL29664082 1.00 CASP3 (0.57) CASP3KMT2ACTSBMDM4TP53
SCHEMBL29426432 0.89 CASP3 (0.49) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL24785654 0.88 CASP3 (0.48) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30291780 0.88 CASP3 (0.48) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL24785651 0.88 CASP3 (0.48) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13323300 0.87 CASP3 (0.49) CASP3KMT2ACTSBMDM4TP53
SCHEMBL4552562 0.86 CASP3 (0.71) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31498750 0.86 CASP3 (0.71) CASP3KMT2AMDM4TP53EPHX2

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
US-7709484-B1 Substituted melanocortin receptor-specific piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-05-04 — — US disclosed
US-7709484-B1 Substituted melanocortin receptor-specific piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-05-04 — — US disclosed
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