SCHEMBL8632204

SCHEMBL8632204

CCCCCCc1ccc(CN(CC)CC)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
KCNH2 Q12809 4/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 1/20 0.39
HDAC3 O15379 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
SCHEMBL16753020 0.84 EPHX2 (0.57) EPHX2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL10878735 0.84 EPHX2 (0.57) EPHX2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL3924849 0.84 EPHX2 (0.57) EPHX2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL30889345 0.84 EPHX2 (0.57) EPHX2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL8921829 0.84 EPHX2 (0.57) EPHX2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL11130551 0.84 ACHE (0.53) EPHX2MAPTALOX5PTGS1PTGS2
SCHEMBL3394938 0.82 EPHX2 (0.54) EPHX2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL20860694 0.81 EPHX2 (0.54) EPHX2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL12194495 0.81 EPHX2 (0.54) EPHX2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL20877601 0.79 EPHX2 (0.53) EPHX2KCNH2ALDH1A1MAPTKDM4E

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
EP-0755671-B1 DERMATOLOGIC PREPARATION KAO CORP (JP) 1998-07-08 EP disclosed
EP-0755671-A1 DERMATOLOGIC PREPARATION Kao Corporation (JP) 1997-01-29 EP disclosed