SCHEMBL6560725

SCHEMBL6560725

COc1ccccc1-n1cc(-c2ccccc2)c(C(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 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
SCHEMBL6560894 0.84 LMNA (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28032229 0.75 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30536599 0.71 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL4002652 0.71 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL3629591 0.70 ATM (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28078364 0.69 ATM (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27981810 0.69 MEN1 (0.49) MEN1KMT2AATMCA12CA1
SCHEMBL25153686 0.68 LMNA (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL30282793 0.68 LMNA (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL10059782 0.67 ALDH1A1 (0.49) MEN1KMT2APOLBDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed