SCHEMBL29045009

SCHEMBL29045009

O=C(CNC(c1ccccc1)c1ccccc1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 2/20 0.53
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.49
NPBWR1 P48145 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MCHR1 Q99705 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCC3 O15438 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
NR3C1 P04150 1/20 0.46

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
SCHEMBL21959864 0.84 MMP9 (0.54) ALDH1A1L3MBTL1MAPK1HTTCYP1A2
SCHEMBL2014362 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1GAACYP1A2
SCHEMBL7446250 0.82 NPSR1 (0.60) ALDH1A1MAPTNPSR1SMN1; SMN2CYP3A4
SCHEMBL10832272 0.82 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1MAPTCYP1A2
Hydrochloric Acid SCHEMBL6988925 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1HTTGAA
Bromide SCHEMBL3249673 0.81 HTT (0.43) ALDH1A1L3MBTL1MAPK1HTTGAA
SCHEMBL2816306 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1MAPTCYP1A2
SCHEMBL19511324 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL10832268 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1MAPTCYP1A2
SCHEMBL4679533 0.80 KMT2A (0.55) L3MBTL1HTTGAAKDM4ESMN1; SMN2

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
CN-115368658-B Comprehensive antirust film capable of easily rusting preservation cabinet and preparation method 宜兴市华裕塑料包装有限公司 2023-08-01 CN claimed
CN-115368658-B Comprehensive antirust film capable of easily rusting preservation cabinet and preparation method 宜兴市华裕塑料包装有限公司 2023-08-01 CN disclosed