SCHEMBL9566964

SCHEMBL9566964

CCCCC(=O)C(Cc1ccc(-c2ccccc2-c2nnn(C(C)(C)C)n2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.42
LTB4R2 Q9NPC1 2/20 0.41
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR2 P50052 1/20 0.38

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
SCHEMBL9430243 0.91 TSHR (0.44) AGTR1LTB4R2TSHRMAPK1L3MBTL1
SCHEMBL9710053 0.83 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL9538443 0.82 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6TSHR
SCHEMBL9154007 0.82 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6TSHR
SCHEMBL9656516 0.82 AGTR1 (0.39) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL9709506 0.81 AGTR1 (0.46) AGTR1LTB4R2AGTR2
SCHEMBL10109387 0.79 AGTR1 (0.68) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL9709619 0.77 AGTR1 (0.44) AGTR1TSHRAGTR2
SCHEMBL9152304 0.76 AGTR1 (0.42) AGTR1TSHRMAPK1L3MBTL1POLB
SCHEMBL9022990 0.76 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550313-A1 2-(Tetranol-5-yl)-(1,1'-biphenyl)derivatives, their preparation and use as intermediates SYNTHELABO (FR) 1993-07-07 EP disclosed