SCHEMBL29068483

SCHEMBL29068483

CCN(c1ccc(C)cc1)c1ccc2c(c1)-c1cc(C)ccc1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
ADORA1 P30542 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ACHE P22303 2/20 0.33
NR3C2 P08235 1/20 0.33
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32

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
SCHEMBL25436138 0.94 METAP1 (0.37) METAP1HTR2AHTR2CRXRARXRB
SCHEMBL29068537 0.86 RAB9A (0.46) HTR2AHTR2CRXRARXRBRXRG
SCHEMBL6259364 0.83 S100B (0.43) METAP1HTR2AHTR2CCYP2D6CYP2C19
SCHEMBL30572817 0.82 RXRA (0.40) HTR2AHTR2CRXRARXRBRXRG
SCHEMBL29068525 0.82 RXRA (0.40) HTR2AHTR2CRXRARXRBRXRG
SCHEMBL29068493 0.80 RXRA (0.39) RXRARXRBRXRG
SCHEMBL30572815 0.80 RXRA (0.39) RXRARXRBRXRG
SCHEMBL27633770 0.79 HPGD (0.42) HTR2CCYP2D6CYP2C19HSD17B10CYP1A2
SCHEMBL10357662 0.79 METAP1 (0.46) METAP1HTR2AHTR2CADORA1CYP2D6
SCHEMBL6429534 0.79 NR3C2 (0.37) RXRARXRBRXRGCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745115-A Laminate, card and case 索尼集团公司 2023-09-12 CN disclosed