SCHEMBL8528458

SCHEMBL8528458

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

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.73
NPC1 O15118 1/20 0.52
IDO1 P14902 1/20 0.51
CPT1A P50416 1/20 0.49
CPT1B Q92523 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.46
SNCA P37840 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8427130 0.95 GPR84 (0.67) GPR84NPC1IDO1CPT1ACPT1B
SCHEMBL27273115 0.92 GPR84 (0.63) GPR84NPC1IDO1CPT1ACPT1B
SCHEMBL8951231 0.92 GPR84 (0.63) GPR84NPC1IDO1CPT1ACPT1B
SCHEMBL29871648 0.91 GPR84 (0.87) GPR84NPC1KMT2AMEN1POLB
SCHEMBL29251314 0.90 GPR84 (0.78) GPR84NPC1KMT2AMEN1POLB
SCHEMBL9373490 0.90 GPR84 (0.60) GPR84NPC1IDO1CPT1ACPT1B
SCHEMBL9373131 0.89 GPR84 (0.59) GPR84NPC1IDO1CPT1ACPT1B
SCHEMBL8530246 0.89 GPR84 (0.65) GPR84IDO1CPT1ACPT1BCYSLTR2
SCHEMBL3676424 0.88 GPR84 (0.58) GPR84NPC1KMT2AMEN1
SCHEMBL9669701 0.87 GPR84 (0.57) GPR84CPT1ACPT1BCYSLTR2CYSLTR1

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 5 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
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