SCHEMBL29454419

SCHEMBL29454419

COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)NCc3ccccc3)cc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ SGMS1 Q86VZ5 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 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
SCHEMBL12972568 0.95 MEN1 (0.45) NPC1RAB9ASGMS1KMT2AHPGD
SCHEMBL12568257 0.91 RAB9A (0.43) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL26687954 0.90 NPC1 (0.42) NPC1RAB9ATP53KMT2AHPGD
SCHEMBL14537676 0.90 NPC1 (0.41) NPC1RAB9ATP53KMT2AHPGD
SCHEMBL14123991 0.89 NPC1 (0.44) NPC1RAB9ATP53KMT2AHPGD
SCHEMBL31146900 0.89 KMT2A (0.45) NPC1RAB9ATP53KMT2AHPGD
SCHEMBL29368397 0.89 KMT2A (0.45) NPC1RAB9ATP53KMT2AHPGD
SCHEMBL29470540 0.89 KMT2A (0.45) NPC1RAB9ATP53KMT2AHPGD
SCHEMBL3367289 0.89 KMT2A (0.45) NPC1RAB9ATP53KMT2AHPGD
SCHEMBL1745934 0.89 KMT2A (0.45) NPC1RAB9ATP53KMT2AHPGD

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-11472844-B2 Peptidomimetics, method of synthesis and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-18 — — US disclosed
EP-3724215-B1 PEPTIDOMIMETICS, METHOD OF SYNTHESIS AND USES THEREOF PASTEUR INSTITUT (FR) 2022-04-13 — — EP disclosed
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