SCHEMBL9714628

SCHEMBL9714628

OC/C=C/c1ccc(/C=C/CBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PAM P19021 1/20 0.34
TSHR P16473 1/20 0.32
APP P05067 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
PTGS1 P23219 1/20 0.31
AKR1B10 O60218 1/20 0.30
AKR1B1 P15121 1/20 0.30
MAOB P27338 1/20 0.30
PTGS2 P35354 1/20 0.30
GLO1 Q04760 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL9714631 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4RECQLCYP4F2CYP4A11
SCHEMBL9714638 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4RECQLCYP4F2CYP4A11
SCHEMBL9276381 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4RECQLCYP4F2CYP4A11
SCHEMBL9276383 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4RECQLCYP4F2CYP4A11
SCHEMBL18821936 0.87 ALDH1A1 (0.41) ALDH1A1CYP3A4RECQLCYP4F2CYP4A11
SCHEMBL119647 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4RECQLGRIK1GRIK2
SCHEMBL119646 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4RECQLGRIK1GRIK2
SCHEMBL3466529 0.78 CYP2C19 (0.43) ALDH1A1CYP3A4GRIK1GRIK2IDO1
SCHEMBL3466530 0.78 CYP2C19 (0.43) ALDH1A1CYP3A4GRIK1GRIK2IDO1
SCHEMBL221968 0.78 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLAPPPTGS1

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-0262404-B1 GLUCOSYLMORANOLINE DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1992-04-29 EP disclosed
US-4855415-A Glucosylmoranoline derivatives NIPPON SHINYAKU CO., LTD. (JP) 1989-08-08 US disclosed
EP-0262404-A1 Glucosylmoranoline derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1988-04-06 EP disclosed