SCHEMBL9360834

SCHEMBL9360834

CCOCCNc1ccc(C)cc1CO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PTGER4 P35408 2/20 0.36
UTS2R Q9UKP6 1/20 0.35
HPGD P15428 1/20 0.34
HTR1A P08908 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL9365698 0.84 PTGER4 (0.44) SMN1; SMN2PTGER4HPGDHTR1AMAPT
SCHEMBL14027447 0.82 IDO1 (0.45) CYP1A2CYP2C9CYP2C19SMN1; SMN2HTR1A
SCHEMBL9361414 0.80 UTS2R (0.40) SMN1; SMN2UTS2RHPGDMAPTALDH1A1
SCHEMBL14303377 0.80 UTS2R (0.44) CYP1A2CYP2C9CYP2C19UTS2RHPGD
SCHEMBL8283662 0.79 CYP3A4 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL20810715 0.78 HDAC6 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2PTGER4
SCHEMBL13274160 0.75 PTGER4 (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2PTGER4
SCHEMBL8466778 0.72 KMT2A (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL9360746 0.72 UTS2R (0.34) CYP1A2CYP2C9CYP2C19UTS2RHTR1A
SCHEMBL14003067 0.71 SMN1; SMN2 (0.36) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412529-B1 Imidazole derivatives, process for the preparation of the same and antiulcer agents containing the same NIPPON CHEMIPHAR CO (JP) 1994-03-09 EP disclosed
US-5091403-A SULFINYL IMIDAZOLE DERIVATIVES AND ANTIULCER AGENTS CONTAINING THE SAME NIPPON CHEMIPHAR CO., LTD. (JP) 1992-02-25 US disclosed
EP-0412529-A1 Imidazole derivatives, process for the preparation of the same and antiulcer agents containing the same NIPPON CHEMIPHAR CO., LTD. (JP) 1991-02-13 EP disclosed