SCHEMBL8922929

SCHEMBL8922929

CCOP(=O)(/C=C/c1ccc(N)cc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
CYP19A1 P11511 11/20 0.39
NQO2 P16083 2/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1I2 O75469 1/20 0.36
PTPN1 P18031 3/20 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
SCHEMBL8922931 1.00 APP (0.39) APPCYP19A1NQO2MAOAMAOB
SCHEMBL14244323 0.83 CA12 (0.50) APPCYP19A1NQO2MAOAMAOB
SCHEMBL8662084 0.83 MAOB (0.42) MAOBTDP1CYP1A2NPSR1NR1I2
SCHEMBL4821198 0.83 NPSR1 (0.36) TSHRTDP1LMNANPSR1NR1I2
SCHEMBL4821195 0.83 NPSR1 (0.36) TSHRTDP1LMNANPSR1NR1I2
SCHEMBL8662087 0.83 MAOB (0.42) MAOBTDP1CYP1A2NPSR1NR1I2
SCHEMBL12425733 0.83 CA12 (0.50) APPCYP19A1NQO2MAOAMAOB
SCHEMBL8661673 0.82 NR1I2 (0.53) MAOAMAOBLMNACYP1A2CYP3A4
SCHEMBL5002639 0.82 NR1I2 (0.53) MAOAMAOBLMNACYP1A2CYP3A4
SCHEMBL8657360 0.81 GSK3B (0.47) CYP19A1NQO2MAOBTSHRLMNA

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-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed