SCHEMBL20040351

SCHEMBL20040351

CC(=O)C(CCCCNC(=O)c1ccc(OC#N)cc1)NC(=O)c1ccc(OC#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ FOLH1 Q04609 15/20 0.47
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL11921811 0.91 FOLH1 (0.41) NPC1RAB9AFOLH1KMT2A
SCHEMBL19149703 0.82 MMP2 (0.52) NPC1RAB9AFOLH1
SCHEMBL11545905 0.80 NAAA (0.57) NPC1RAB9AFOLH1
SCHEMBL18057035 0.80 LMNA (0.47) NPC1RAB9AALDH1A1
SCHEMBL13531590 0.76 HDAC1 (0.56) NPC1RAB9AALDH1A1KMT2A
SCHEMBL11545678 0.76 NAAA (0.55) NPC1RAB9AFOLH1POLB
SCHEMBL31344538 0.73 NPC1 (0.63) NPC1RAB9AFOLH1KMT2A
SCHEMBL19130735 0.71 MMP2 (0.50) NPC1RAB9AFOLH1
SCHEMBL17002063 0.71 CA12 (0.50) NPC1RAB9AFOLH1
SCHEMBL7390854 0.71 KDM4E (0.55) FOLH1ALDH1A1L3MBTL1

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-2673259-B1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-04-11 — — EP disclosed
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