SCHEMBL18976281

SCHEMBL18976281

BCc1cc(CCS)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
ALOX15 P16050 5/20 0.41
IGF1R P08069 3/20 0.41
AKR1B1 P15121 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
ALOX5 P09917 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
DRD2 P14416 3/20 0.38
DRD1 P21728 3/20 0.38
DRD4 P21917 3/20 0.38
DRD5 P21918 3/20 0.38
DRD3 P35462 3/20 0.38
MAPK1 P28482 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ADRA2A P08913 2/20 0.38

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
SCHEMBL11541519 0.77 ALOX15 (0.67) BACE1ALOX15IGF1RMAPTKDM4E
SCHEMBL29362192 0.70 FOLH1 (0.33) BACE1ALOX15IGF1R
SCHEMBL64008 0.70 FOLH1 (0.33) BACE1ALOX15IGF1R
SCHEMBL16982325 0.69 GABRA1 (0.45) BACE1ALOX15IGF1RAKR1B1MAPT
SCHEMBL18328794 0.66 ALDH1A1 (0.51) ALOX15MAPTKDM4EALDH1A1GAA
SCHEMBL28880594 0.65 ALOX15 (0.75) BACE1ALOX15IGF1RMAPTKDM4E
SCHEMBL1021086 0.65 ALOX5 (0.71) BACE1ALOX15IGF1RAKR1B1MAPT
SCHEMBL10450798 0.65 KDM4E (0.65) BACE1ALOX15IGF1RAKR1B1MAPT
SCHEMBL22499941 0.65 BACE1 (0.75) BACE1ALOX15MAPTKDM4EALDH1A1
SCHEMBL19303094 0.65 ALOX15 (0.50) BACE1ALOX15IGF1RMAPTKDM4E

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
EP-2810564-B1 Sensation masking composition TAKASAGO INT CORP (USA) (US) 2017-06-14 EP disclosed