SCHEMBL6767798

SCHEMBL6767798

CC(C)=Cc1ccc(B(O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
CA2 P00918 4/20 0.48
LPL P06858 3/20 0.48
LIPG Q9Y5X9 3/20 0.48
TTR P02766 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL2464948 0.82 ESR1 (0.46) KDM4ETSHR
SCHEMBL2400920 0.74 TTR (0.71) KDM4ECA2LPLLIPGTTR
SCHEMBL2400914 0.74 TTR (0.71) KDM4ECA2LPLLIPGTTR
SCHEMBL204921 0.72 ENPP2 (0.73) KDM4ECA2LPLLIPGENPP2
SCHEMBL3338993 0.72 CYP2A6 (0.48) KDM4ECA1
SCHEMBL276966 0.72 ESR1 (0.62) KDM4ECA2CA1CA4CA5A
SCHEMBL10829395 0.72 ESR1 (0.39) KDM4ETSHR
SCHEMBL8349648 0.71 TTR (0.55) KDM4ECA2LPLLIPGTTR
SCHEMBL19452381 0.71 TTR (0.55) KDM4ECA2LPLLIPGTTR
SCHEMBL4982389 0.70 KDM4E (0.52) KDM4ECA2LPLLIPGTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed