SCHEMBL3142408

SCHEMBL3142408

O=C(CCl)c1ccc2c(c1)CC=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.43
ALDH1A1 P00352 11/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HIF1A Q16665 3/20 0.40
MAPK1 P28482 2/20 0.40
TRPA1 O75762 1/20 0.40
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.37
NPC1 O15118 2/20 0.35
TTR P02766 1/20 0.35
POLB P06746 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
SRD5A1 P18405 1/20 0.32
SRD5A2 P31213 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4589714 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1KDM4ETP53
SCHEMBL27356467 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1KDM4ETP53
Hydrochloric Acid SCHEMBL27447092 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1KDM4ETP53
Hydrochloric Acid SCHEMBL3142402 0.76 MAPT (0.50) ALDH1A1MAPTRAB9AKDM4ELMNA
SCHEMBL27779069 0.75 ALDH1A1 (0.32) ALDH1A1SRD5A1SRD5A2CYP2D6CYP2C19
SCHEMBL8766396 0.73 CA1 (0.47) ALDH1A1MAPTSMN1; SMN2TRPA1KDM4E
SCHEMBL14692395 0.73 GSK3B (0.50) GSK3BALDH1A1MAPTSMN1; SMN2HIF1A
Trifluoroacetic Acid SCHEMBL27357823 0.72 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL11679626 0.72 MAPT (0.58) GSK3BALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL14692502 0.72 SRD5A2 (0.54) GSK3BALDH1A1MAPTSMN1; SMN2HIF1A

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-2151846-B1 High temperature thermal cutoff device THERM O DISC INC (US) 2013-10-09 EP disclosed
EP-2151846-A2 High temperature thermal cutoff device Therm-O-Disc Incorporated (US) 2010-02-10 EP disclosed