SCHEMBL8530246

SCHEMBL8530246

COC(=O)c1ccc(Cc2c[nH]c3ccc(C(=O)OCc4ccccc4)cc23)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.65
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
IDO1 P14902 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
CPT1A P50416 1/20 0.46
CPT1B Q92523 1/20 0.46
SNCA P37840 2/20 0.45
TACR1 P25103 1/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
LNPEP Q9UIQ6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CDK2 P24941 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8425280 0.94 GPR84 (0.56) GPR84CYSLTR2CYSLTR1IDO1RXFP1
SCHEMBL8528458 0.89 GPR84 (0.73) GPR84CYSLTR2CYSLTR1IDO1CPT1A
SCHEMBL8427130 0.87 GPR84 (0.67) GPR84CYSLTR2CYSLTR1IDO1CPT1A
SCHEMBL29251314 0.84 GPR84 (0.78) GPR84RXFP1CYP3A4MAPTCDK2
SCHEMBL8427078 0.84 GPR84 (0.46) GPR84CYSLTR2CYSLTR1SNCACYP3A4
SCHEMBL27273115 0.83 GPR84 (0.63) GPR84CYSLTR2CYSLTR1IDO1CPT1A
SCHEMBL8530662 0.83 GPR84 (0.79) GPR84SNCACDK2MEN1KMT2A
SCHEMBL8427079 0.83 GPR84 (0.44) GPR84CYSLTR2CYSLTR1IDO1RXFP1
SCHEMBL8951231 0.81 GPR84 (0.63) GPR84CYSLTR2CYSLTR1IDO1CPT1A
SCHEMBL8536304 0.81 GPR84 (0.47) GPR84RXFP1TACR1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP disclosed
CN-1025786-C Carbamoyl derivatives ICI PLC (GB) 1994-08-31 CN disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed
CN-1053604-A CARBAMOYL DERIVATIVES ICI PLC (GB) 1991-08-07 CN disclosed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 EP disclosed