SCHEMBL7464494

SCHEMBL7464494

Cc1cccc(CBr)c1OCC#N.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
PTGER1 P34995 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SCN4A P35499 10/20 0.32
SCN8A Q9UQD0 5/20 0.32
CYP3A4 P08684 3/20 0.32
LMNA P02545 2/20 0.32
SCN1A P35498 2/20 0.32
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
NFKB1 P19838 2/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
KCNK3 O14649 1/20 0.32
CACNA1F O60840 1/20 0.32
KCNK2 O95069 1/20 0.32

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
SCHEMBL4843386 0.89 SCN4A (0.39) PTGER4PTGER3PTGER2PTGER1SMN1; SMN2
SCHEMBL27499107 0.77 PTGER4 (0.36) PTGER4PTGER3PTGER2PTGER1SMN1; SMN2
SCHEMBL2647307 0.75 CYP3A4 (0.48) CYP3A4TSHRTDP1
SCHEMBL1825131 0.74 SCN4A (0.47) SCN4ASCN8ACYP3A4LMNASCN1A
SCHEMBL4848836 0.74 TSHR (0.37) PTGER4PTGER3PTGER2PTGER1SCN4A
SCHEMBL1043879 0.74 CYP3A4 (0.43) SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL6088358 0.71 BCHE (0.38)
SCHEMBL6089172 0.71 NAMPT (0.35) SMN1; SMN2
SCHEMBL6091382 0.69 CCNB2 (0.40) SMN1; SMN2LMNA
SCHEMBL2880981 0.69 ABCB1 (0.47) SMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed