SCHEMBL7124935

SCHEMBL7124935

CC(C)c1ccc(CC(=O)[AsH]c2cccc3cc(C(=O)[AsH]c4ccc(C#N)cc4C(=O)O)[nH]c23)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
FFAR1 O14842 3/20 0.32
PANK3 Q9H999 1/20 0.32
ESR1 P03372 1/20 0.32
IDO1 P14902 1/20 0.31
CACNA1H O95180 1/20 0.31
PIN1 Q13526 1/20 0.30
EIF4A3 P38919 1/20 0.30

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
SCHEMBL7125584 0.85 SNCA (0.32)
SCHEMBL7128527 0.77 PARP14 (0.38) IDO1
SCHEMBL7133842 0.76 CCR2 (0.33) FFAR1ESR1PIN1
SCHEMBL6834134 0.72 IDO1 (0.43) CNR1IDO1CACNA1H
SCHEMBL7127481 0.70 KDM4E (0.47)
SCHEMBL7131750 0.67 POLB (0.42)
SCHEMBL6914592 0.63 XDH (0.37) PIN1
SCHEMBL6914669 0.63 MAP2K1 (0.41)
SCHEMBL6834079 0.62 NHERF1 (0.44) CNR1
SCHEMBL6834072 0.62 ALDH1A1 (0.41)

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed