SCHEMBL9448705

SCHEMBL9448705

COc1ccc(C(O)/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.57
MAOB P27338 3/20 0.55
MAPT P10636 4/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAOA P21397 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
TLR9 Q9NR96 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 6/20 0.46
GPR183 P32249 1/20 0.45
NQO2 P16083 1/20 0.44
PTGS1 P23219 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL9448707 1.00 SLC2A1 (0.57) SLC2A1MAOBMAPTALDH1A1CYP3A4
SCHEMBL8617802 0.91 ALDH1A1 (0.50) SLC2A1MAOBMAPTALDH1A1CYP3A4
SCHEMBL14839505 0.89 ALDH1A1 (0.60) MAPTALDH1A1CYP3A4CYP2C9ALOX15
SCHEMBL10874389 0.85 SLC2A1 (0.60) SLC2A1MAOBMAPTALDH1A1CYP3A4
SCHEMBL14839484 0.83 ALDH1A1 (0.54) MAPTALDH1A1CYP3A4CYP2C9ALOX15
SCHEMBL14839479 0.83 ALDH1A1 (0.54) MAPTALDH1A1CYP3A4CYP2C9ALOX15
SCHEMBL4631951 0.81 TRPA1 (0.59) MAOBMAPTALDH1A1CYP3A4CYP2C9
SCHEMBL4630837 0.81 RELA (0.59) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL4630835 0.81 RELA (0.59) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL4631947 0.81 TRPA1 (0.59) MAOBMAPTALDH1A1CYP3A4CYP2C9

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
US-5190909-A RECORD MATERIAL UTILIZING A VINYL CARBINOL OR DERIVATIVE THEREOF AS A CHROMOGENIC COMPOUND THE WIGGINS TEAPE GROUP LIMITED (GB) 1993-03-02 US disclosed