SCHEMBL6571561

SCHEMBL6571561

COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)C(CC(C)c2ccncc2)CC(C)c2ccncc2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP11B1 P15538 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
SCHEMBL6571574 1.00 NOX1 (0.38) NOX1L3MBTL1MAPK1TUBB4ATUBB
SCHEMBL6573731 0.92 L3MBTL1 (0.39) NOX1L3MBTL1MAPK1TUBB4ATUBB
SCHEMBL6573737 0.92 L3MBTL1 (0.39) NOX1L3MBTL1MAPK1TUBB4ATUBB
SCHEMBL7173487 0.91 GFER (0.41) KCNA5LMNA
SCHEMBL7173479 0.91 GFER (0.41) KCNA5LMNA
SCHEMBL9077036 0.86 NOX1 (0.39) NOX1L3MBTL1MAPK1TUBB4ATUBB
SCHEMBL6570397 0.86 KMT2A (0.42) NOX1L3MBTL1MAPK1TUBB4ATUBB
SCHEMBL6570389 0.86 KMT2A (0.42) NOX1L3MBTL1MAPK1TUBB4ATUBB
SCHEMBL7176742 0.84 CNR1 (0.38) ALDH1A1LMNATP53
SCHEMBL7177956 0.84 CNR1 (0.38) ALDH1A1LMNATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US claimed
EP-1420009-A2 Novel amino acid derivatives with improved multi-drug resistance activity Vertex Pharmaceuticals Incorporated (US) 2004-05-19 EP disclosed
EP-0797567-B1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2004-02-11 EP disclosed
US-6284778-B1 NEUROTROPHIC AGENT VERTEX PHARMACEUTICALS INCORPORATED 2001-09-04 US disclosed
US-6172086-B1 TREATING PARKINSON*S DISEASE, ALZHIEMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS AND OTHER NERVOUS SYSTEM DISORDERS VERTEX PHARMACEUTICALS INCORPORATED 2001-01-09 US disclosed
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US disclosed