SCHEMBL9608859

SCHEMBL9608859

CNC/C=C/C=C/CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
GPR52 Q9Y2T5 13/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
Hydrochloric Acid SCHEMBL8536844 0.98 MEN1 (0.47) ATMTAAR1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL8536840 0.98 MEN1 (0.47) ATMTAAR1L3MBTL1MEN1KMT2A
SCHEMBL28272064 0.79 L3MBTL1 (0.55) ATMTAAR1L3MBTL1MEN1KMT2A
SCHEMBL17715311 0.79 ADH1B (0.48) SIGMAR1GPR52
SCHEMBL16658711 0.78 GPR52 (0.47) GPR52MAPT
SCHEMBL15534342 0.77 GPR52 (0.50) GPR52MAPT
SCHEMBL15534344 0.77 GPR52 (0.50) GPR52MAPT
SCHEMBL8533416 0.77 GPR52 (0.48) TAAR1GPR52MAPT
SCHEMBL11220827 0.76 GPR52 (0.47) MEN1KMT2ASIGMAR1GPR52
SCHEMBL11220823 0.76 GPR52 (0.47) MEN1KMT2ASIGMAR1GPR52

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
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 WO disclosed