SCHEMBL9515280

SCHEMBL9515280

CC(C)c1ccccc1C1CCc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
PLAU P00749 1/20 0.42
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HTR1A P08908 1/20 0.37
PRCP P42785 1/20 0.37
CYP11B2 P19099 1/20 0.37
ANPEP P15144 1/20 0.37
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
BCHE P06276 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ACHE P22303 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR6 P50406 1/20 0.36
TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL27259988 0.78 ADRA2A (0.47) PDPK1ALDH1A1PLA2G1BATG4BHTR1A
SCHEMBL19523190 0.74 ADRA2A (0.42) ALDH1A1PLA2G1BATG4BADRA2BADRA2C
SCHEMBL28469815 0.74 PLAU (0.46) PDPK1PLAUMTNR1AMTNR1BANPEP
SCHEMBL5600840 0.73 PTGS2 (0.41) ALDH1A1PLA2G1BATG4BHTR1AADRA2B
SCHEMBL11299820 0.72 PLAU (0.44) PDPK1PLAUHTR1AANPEPADRA1A
SCHEMBL12681540 0.72 ADRB2 (0.42) HTR1AADRA1AHTR6
SCHEMBL22156257 0.70 ADRA2A (0.39) ALDH1A1PLA2G1BATG4BADRA2BADRA2C
Hydrogen Peroxide SCHEMBL11527811 0.70 PTGDR2 (0.44) ALDH1A1PLA2G1BATG4BHTR1AADRA2B
SCHEMBL19139827 0.70 HTR2C (0.59) HTR1AADRA2BADRA2CHTR6
SCHEMBL10607156 0.70 GID4 (0.48) PDPK1ALDH1A1PLA2G1BATG4BHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224259-B1 A WORKING FLUID FOR TRACTION DRIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-02-10 EP disclosed
US-4684754-A DECAHYDRONAPHTHALENE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-08-04 US disclosed
EP-0224259-A2 A working fluid for traction drive IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-06-03 EP disclosed