SCHEMBL6573731

SCHEMBL6573731

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NOX1 Q9Y5S8 1/20 0.36
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
TP53 P04637 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
SCHEMBL6573737 1.00 L3MBTL1 (0.39) L3MBTL1MAPK1ALDH1A1NOX1TUBB4A
SCHEMBL6571561 0.92 NOX1 (0.38) L3MBTL1MAPK1ALDH1A1NOX1TUBB4A
SCHEMBL6571574 0.92 NOX1 (0.38) L3MBTL1MAPK1ALDH1A1NOX1TUBB4A
SCHEMBL6573934 0.87 L3MBTL1 (0.40) L3MBTL1MAPK1ALDH1A1KDM4ECYP11B1
SCHEMBL6573929 0.87 L3MBTL1 (0.40) L3MBTL1MAPK1ALDH1A1KDM4ECYP11B1
SCHEMBL7177870 0.85 FKBP1A (0.40) L3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL7177878 0.85 FKBP1A (0.40) L3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL9077036 0.84 NOX1 (0.39) L3MBTL1MAPK1ALDH1A1NOX1TUBB4A
SCHEMBL7173487 0.83 GFER (0.41) KCNA5
SCHEMBL7173479 0.83 GFER (0.41) KCNA5

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