SCHEMBL8303606

SCHEMBL8303606

Clc1ccc(OCc2ccccc2)c2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
GPR84 Q9NQS5 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 1/20 0.42
BRD4 O60885 5/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PPARG P37231 1/20 0.41
RIN1 Q13671 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL29503015 0.88 GPR84 (0.47) LTA4HPLA2G2ATRPM8GPR84L3MBTL1
SCHEMBL18702895 0.88 GPR84 (0.47) LTA4HPLA2G2ATRPM8GPR84L3MBTL1
SCHEMBL3621324 0.82 LTA4H (0.46) LTA4HPLA2G2ATRPM8L3MBTL1POLB
SCHEMBL27527029 0.82 LTA4H (0.46) LTA4HPLA2G2ATRPM8L3MBTL1POLB
SCHEMBL26913141 0.79 RHEB (0.49) LTA4HPLA2G2ATRPM8L3MBTL1POLB
SCHEMBL8303620 0.79 LTA4H (0.53) LTA4HPLA2G2ATRPM8L3MBTL1BRD4
SCHEMBL8304176 0.78 L3MBTL1 (0.48) LTA4HPLA2G2ATRPM8L3MBTL1POLB
SCHEMBL23887763 0.78 LTA4H (0.54) LTA4HPLA2G2ATRPM8L3MBTL1POLB
SCHEMBL15826425 0.78 P2RX7 (0.40) GPR84L3MBTL1BRD4RAB9AMAPT
SCHEMBL9749973 0.77 LTA4H (0.68) LTA4HPLA2G2ATRPM8BRD4MAPT

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
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
CN-1040108-C Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1998-10-07 CN disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
CN-1061413-A Medicinal compound LILLY INDUSTRIES LTD (GB) 1992-05-27 CN disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed