SCHEMBL8905481

SCHEMBL8905481

O=C(COc1ccccc1)OCC=NNC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37
CASP1 P29466 1/20 0.37
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8802356 0.77 ALOX15 (0.44) MAPTALDH1A1POLBALOX15KMT2A
SCHEMBL8352074 0.74 MTNR1A (0.49) MAPTKDM4EHTTALOX15KMT2A
SCHEMBL8905474 0.72 PPARG (0.44)
SCHEMBL114035 0.70 CASP1 (0.56) MAPTALDH1A1KDM4EHTTALOX15
SCHEMBL1866841 0.70 CASP1 (0.56) MAPTALDH1A1KDM4EHTTALOX15
SCHEMBL12989157 0.69 ALOX15 (0.61) MAPTALDH1A1KDM4EALOX15KMT2A
SCHEMBL1396715 0.66 ALDH1A1 (0.64) ALDH1A1POLBALOX15KMT2AGAA
SCHEMBL28775761 0.66 ALOX15 (0.61) MAPTALDH1A1KDM4EALOX15KMT2A
SCHEMBL839157 0.66 ALOX15 (0.73) MAPTALDH1A1ALOX15KMT2ACYP1A2
SCHEMBL28425775 0.66 RAB9A (0.64) MAPTALDH1A1KDM4EALOX15KMT2A

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-5703099-A TREATMENT OF THROMBOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASES, GASTRIC ULCER OR HYPERTENSION ONO PHARMACEUTICAL CO., LTD. (JP) 1997-12-30 US disclosed