SCHEMBL31501939

SCHEMBL31501939

COCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
HTR2A P28223 1/20 0.52
FABP5 Q01469 3/20 0.43
KMT2A Q03164 2/20 0.42
FABP7 O15540 2/20 0.41
GPR3 P46089 1/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL456018 1.00 CA1 (0.53) CA1CA2HTR2AFABP5KMT2A
SCHEMBL15800627 0.86 CA1 (0.42) CA1CA2HTR2AFABP5KMT2A
SCHEMBL3823250 0.86 CA1 (0.42) CA1CA2HTR2AFABP5KMT2A
SCHEMBL34473477 0.84 CA1 (0.47) CA1CA2HTR2AFABP5KMT2A
SCHEMBL7594934 0.82 HTR2A (0.39) CA1CA2HTR2AFABP5KMT2A
SCHEMBL2730698 0.81 CA1 (0.57) CA1CA2HTR2AFABP5KMT2A
SCHEMBL15272782 0.79 HTR2A (0.38) CA1CA2HTR2AFABP5KMT2A
SCHEMBL1275884 0.78 CA1 (0.50) CA1CA2HTR2AFABP5KMT2A
SCHEMBL633764 0.78 HTR2A (0.58) CA1CA2HTR2AGPR3POLB
SCHEMBL21895152 0.78 TSHR (0.42) CA1CA2HTR2AFABP5KMT2A

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-119797564-A Treatment method of polyolefin catalyst waste liquid 任丘市利和科技发展有限公司 2025-04-11 CN disclosed