SCHEMBL9835248

SCHEMBL9835248

C=CC(C)c1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CASR P41180 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
TP53 P04637 2/20 0.37
SRC P12931 1/20 0.33
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
CACNA2D1 P54289 2/20 0.32
CACNA1B Q00975 2/20 0.32
CACNB1 Q02641 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
CACNA1G O43497 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
SCHEMBL21331651 0.81 TRPA1 (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL11056577 0.80 LMNA (0.62) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL27766137 0.79 TRPA1 (0.41) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL11062180 0.76 LMNA (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL10357809 0.76 TDP1 (0.34) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL1003317 0.76 TRPA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19122345 0.76 TRPA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL29757164 0.75 TRPA1 (0.60) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL6546836 0.75 CASR (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL599102 0.75 TRPA1 (0.60) TRPA1LMNACHRM1SLC6A2ADRA1A

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-0222296-B1 CO-EXTRUDED BIAXIALLY ORIENTED MULTILAYER FILM HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-11 EP disclosed
EP-0222296-A2 Co-extruded biaxially oriented multilayer film HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-20 EP disclosed