SCHEMBL9570548

SCHEMBL9570548

C=CCc1ccccc1C1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.44
HTR1A P08908 4/20 0.43
SIGMAR1 Q99720 3/20 0.41
PRCP P42785 2/20 0.39
IDO1 P14902 2/20 0.38
PDPK1 O15530 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 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
SCHEMBL11884022 0.78 ADRA1A (0.44) ADRA1ASIGMAR1IDO1PDPK1
SCHEMBL28533470 0.75 GABRA1 (0.41) HTR1APRCPADRA2A
SCHEMBL29081000 0.75 PRCP (0.53) PRCP
SCHEMBL8609786 0.75 ADRA1A (0.44) ADRA1AHTR1ASIGMAR1IDO1PDPK1
SCHEMBL2560217 0.73 IDO1 (0.40) ADRA1ASIGMAR1PRCPIDO1PDPK1
SCHEMBL18668719 0.73 KMT2A (0.40) HTR1APRCPADRA2A
SCHEMBL9614876 0.73 GABRA1 (0.39) HTR1APRCPADRA2A
SCHEMBL24353782 0.72 RET (0.38) HTR1ASIGMAR1PRCP
SCHEMBL251314 0.71 PTGDR2 (0.40) PRCP
SCHEMBL24353778 0.71 GABRA1 (0.39) HTR1ASIGMAR1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5294893-A None JP disclosed
JP-57115471-A None JP disclosed
JP-55118986-A None JP disclosed
JP-H05294893-A PRODUCTION OF CARBOXYPHENYLCARBOXYINDANE NIPPON PETROCHEM CO LTD 1993-11-09 JP disclosed
JP-S57115471-A HOT-MELT ADHESIVE MASS COMPOSITION NIPPON PETROCHEM CO LTD 1982-07-17 JP disclosed
JP-S55118986-A OIL CHAULKING COMPOSITION NIPPON PETROCHEM CO LTD 1980-09-12 JP disclosed