SCHEMBL8567708

SCHEMBL8567708

C=C(C)C(=O)OCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 1/20 0.54
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
PARP10 Q53GL7 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 3/20 0.46
SYK P43405 3/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
HPGD P15428 2/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 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
SCHEMBL1269638 0.86 CA12 (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL12836247 0.83 NPC1 (0.51) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL533732 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAPGR
Hydrochloric Acid SCHEMBL27540845 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL27486988 0.81 TDP1 (0.52) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
Bromide SCHEMBL28739911 0.80 TDP1 (0.51) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
Bromide SCHEMBL27710413 0.80 TDP1 (0.51) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL27215944 0.80 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
Hydrochloric Acid SCHEMBL28739904 0.80 TDP1 (0.51) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL442124 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAPGR

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
US-5726218-A Photo-conductive composition and CRT bulb having photo-conductive layer formed of the same SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1998-03-10 US disclosed