SCHEMBL9275342

SCHEMBL9275342

O=C(CCc1ccccc1)OCC#CI

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.48
TAAR1 Q96RJ0 1/20 0.48
APP P05067 1/20 0.48
KEAP1 Q14145 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
ALOX5 P09917 1/20 0.45
FFAR1 O14842 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9817275 0.84 TDP1 (0.44) TDP1TAAR1APPFFAR1
SCHEMBL10784313 0.83 ALDH1A1 (0.58) TDP1ALDH1A1KMT2A
SCHEMBL9817277 0.80 CYP4F2 (0.47) TDP1TAAR1APPNPC1RAB9A
SCHEMBL23681090 0.80 TDP1 (0.68) TDP1MAPTALDH1A1TAAR1APP
SCHEMBL9126450 0.80 ALDH1A1 (0.69) TDP1MAPTALDH1A1TAAR1APP
SCHEMBL28182817 0.79 TDP1 (1.00) TDP1MAPTALDH1A1APPKEAP1
SCHEMBL15270896 0.78 TDP1 (0.75) TDP1MAPTALDH1A1APPKEAP1
SCHEMBL28207503 0.78 TDP1 (0.75) TDP1MAPTALDH1A1APPKEAP1
SCHEMBL6444566 0.76 ADRA2A (0.34) MAPT
SCHEMBL3650168 0.75 TDP1 (0.78) TDP1MAPTALDH1A1APPKEAP1

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
JP-7304605-A None JP disclosed
JP-H07304605-A ACARICIDE FOR INDOOR DUST MITE SUMITOMO CHEM CO LTD 1995-11-21 JP disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed