SCHEMBL28960410

SCHEMBL28960410

Cc1c(O)ccc(C2CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
ADRB2 P07550 1/20 0.34
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
GPR35 Q9HC97 2/20 0.33
ESR2 Q92731 2/20 0.33
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ESR1 P03372 1/20 0.32
QDPR P09417 1/20 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
SCHEMBL7861267 0.90 NUDT1 (0.44) HTR2CTRPA1ATMADRB2NUDT1
SCHEMBL6863507 0.90 NUDT1 (0.44) HTR2CTRPA1ATMADRB2NUDT1
SCHEMBL3807630 0.87 ESR2 (0.55) ESR2ESR1
SCHEMBL930210 0.84 HTR2C (0.48) HTR2CTRPA1ATM
SCHEMBL20066980 0.80 TYR (0.39) ESR2ESR1
SCHEMBL17398179 0.77 MEN1 (0.47) QDPR
SCHEMBL2031906 0.77 ESR2 (0.41) HTR2CESR2ESR1
SCHEMBL17666843 0.77 HTR2C (0.46) HTR2CTRPA1ATMNUDT1BACE1
SCHEMBL4609516 0.77 NUDT1 (0.40) HTR2CTRPA1ATMADRB2NUDT1
SCHEMBL4608024 0.75 NUDT1 (0.42) TRPA1ATMADRB2NUDT1BACE1

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-111712529-B Method and composition for preparing thermosetting poly (arylene ether) copolymer 高新特殊工程塑料全球技术有限公司 2023-02-28 CN disclosed