SCHEMBL7595646

SCHEMBL7595646

C=CC=C(c1ccccc1C)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL18516692 0.81 MAOA (0.38) MAOAMAOBTSHRACHESMN1; SMN2
SCHEMBL14464349 0.81 HPGD (0.40) MAOAMAOBTSHRACHESMN1; SMN2
SCHEMBL24614227 0.79 MAOA (0.37) MAOAMAOBTSHRACHESMN1; SMN2
SCHEMBL21287913 0.79 MAOA (0.37) MAOAMAOBTSHRACHESMN1; SMN2
SCHEMBL18292243 0.79 MAOA (0.41) MAOAMAOBTSHRACHESMN1; SMN2
SCHEMBL20124434 0.79 CYP3A4 (0.35) MAOATSHRACHESMN1; SMN2ALDH1A1
SCHEMBL19593100 0.78 MEN1 (0.31) CHRM3MEN1KMT2A
SCHEMBL8733487 0.77 TSHR (0.45) CHRM3MAOAMAOBTSHRACHE
SCHEMBL23954416 0.77 CHRM3 (0.32) CHRM3
SCHEMBL20858129 0.76 MAOA (0.39) MAOAMAOBSMN1; SMN2ALDH1A1TP53

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-1124834-B1 PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES DOW CHEMICAL CO (US) 2002-11-06 EP disclosed