SCHEMBL9835251

SCHEMBL9835251

C=CC(C)c1cccc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
TSHR P16473 4/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
CYP1A2 P05177 3/20 0.42
ADRA1D P25100 2/20 0.42
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 2/20 0.41
HTR7 P34969 1/20 0.41
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL11463024 0.83 ESR1 (0.46) ADRA2AADRA2BADRA2CTSHRSLC6A2
SCHEMBL10410201 0.83 ESR1 (0.46) ADRA2AADRA2BADRA2CTSHRSLC6A2
SCHEMBL16953673 0.81 ADRA2A (0.40) ADRA2AADRA2BADRA2CTSHRADRA1A
SCHEMBL11441228 0.80 CD44 (0.43) ADRA2AADRA2BADRA2CTSHRADRA1A
SCHEMBL9908787 0.80 ALDH1A1 (0.48) TSHRCYP1A2CYP3A4TP53CYP2C9
SCHEMBL28402138 0.79 ADRA2A (0.42) ADRA2AADRA2BADRA2CTSHRADRA1A
SCHEMBL29456687 0.79 TSHR (0.42) ADRA2AADRA2BADRA2CTSHRADRA1A
SCHEMBL1324773 0.79 TSHR (0.42) ADRA2AADRA2BADRA2CTSHRADRA1A
SCHEMBL6241211 0.78 ADRA2A (0.38) ADRA2AADRA2BADRA2CTSHRADRA1A
SCHEMBL20459466 0.77 ESR1 (0.31) ESR1

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