SCHEMBL8084665

SCHEMBL8084665

COc1ccc2c(SCC(=O)c3ccc(OCc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TLR8 Q9NR97 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PRNP P04156 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 2/20 0.46
ALPL P05186 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SCD O00767 1/20 0.46
TSHR P16473 1/20 0.45
MAOB P27338 2/20 0.44

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
SCHEMBL8089979 0.88 CYP1A2 (0.51) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8090035 0.87 SMN1; SMN2 (0.54) CYP1A2RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8076711 0.79 MAPT (0.51) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8088288 0.79 PTGES (0.56) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8076747 0.79 CYP1A2 (0.55) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8084075 0.78 NR4A2 (0.52) CYP1A2SMN1; SMN2MAOBGCGR
SCHEMBL8084754 0.76 CYP1A2 (0.49) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8084757 0.75 ALDH1A1 (0.49) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15452745 0.74 PRNP (0.74) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7455151 0.73 MAOB (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed