SCHEMBL8133333

SCHEMBL8133333

[CH]=Cc1cc(C)ccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TRPA1 O75762 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SRC P12931 1/20 0.33

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
SCHEMBL7804607 0.79 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL10338935 0.79 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL16958914 0.79 LMNA (0.55) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29724084 0.79 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL32671492 0.79 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL11443433 0.78 LMNA (0.48) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4331368 0.73 ALOX5 (0.47) LMNACYP1A2CYP2A6KDM4EMAPT
SCHEMBL23707000 0.72 TRPA1 (0.62) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29484749 0.72 TRPA1 (0.62) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL11373224 0.71 GABRA1 (0.44) LMNASLC6A2HTR2BCYP1A2L3MBTL1

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-0968159-A1 METHOD FOR PREPARATION OF STYRENES Aventis Research & Technologies GmbH & Co KG (DE) 2000-01-05 EP disclosed
WO-1998032719-A1 METHOD FOR PREPARATION OF STYRENES AVENTIS RESEARCH & TECHNOLOGY GMBH & CO KG (DE) 1998-07-30 WO disclosed