SCHEMBL21891701

SCHEMBL21891701

O=C(O)c1ccccc1C(=O)N1CCC(CCO)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.59
AKR1C3 P42330 1/20 0.54
ALDH1A1 P00352 1/20 0.54
EPHX1 P07099 2/20 0.53
EPHX2 P34913 2/20 0.53
CYP2C9 P11712 5/20 0.52
CYP2C19 P33261 5/20 0.52
MAPK14 Q16539 5/20 0.52
HTR2B P41595 3/20 0.52
TP53BP1 Q12888 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RECQL P46063 1/20 0.50
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
MMP3 P08254 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL13597141 0.85 CPB1 (0.56) CPB1ALDH1A1EPHX1EPHX2CYP2C9
SCHEMBL21914035 0.84 AKR1C3 (0.56) AKR1C3ALDH1A1CYP2C9CYP2C19MAPK14
SCHEMBL7320522 0.83 HDAC3 (0.64) AKR1C3EPHX1L3MBTL3L3MBTL1
SCHEMBL10722272 0.80 CYP2C9 (0.56) CPB1ALDH1A1CYP2C9CYP2C19MAPK14
SCHEMBL21891709 0.80 CPB1 (0.68) CPB1ALDH1A1EPHX1EPHX2CYP2C9
SCHEMBL16026538 0.79 ALDH1A1 (0.79) CPB1ALDH1A1TP53BP1L3MBTL3L3MBTL1
SCHEMBL10720231 0.78 CYP2C9 (0.58) ALDH1A1CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL10724466 0.78 CHRM1 (0.56) CPB1ALDH1A1CYP2C9CYP2C19MAPK14
SCHEMBL10720113 0.77 CYP2C9 (0.81) ALDH1A1CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL2454930 0.77 SRD5A1 (0.55) CPB1AKR1C3ALDH1A1CYP2C9CYP2C19

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
WO-2020054226-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, LAMINATE, METHOD FOR PRODUCING CURED FILM, AND SEMICONDUCTOR DEVICE 富士フイルム株式会社 2020-03-19 WO disclosed