SCHEMBL8998286

SCHEMBL8998286

COC(=O)c1ccc(Cn2ccc3ccc(NC(=O)CC4CCCC4)cc32)c(OC)c1

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
CYSLTR2 Q9NS75 8/20 0.55
CYSLTR1 Q9Y271 8/20 0.55
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NAMPT P43490 1/20 0.50

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
SCHEMBL8998153 0.93 EPHX2 (0.66) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL10368754 0.92 EPHX2 (0.65) EPHX2NR1H4CYSLTR2CYSLTR1LMNA
SCHEMBL8998132 0.88 CYSLTR2 (0.52) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL9479108 0.88 EPHX2 (0.58) EPHX2NR1H4CYSLTR2CYSLTR1LMNA
SCHEMBL9478778 0.86 CYSLTR2 (0.54) EPHX2NR1H4CYSLTR2CYSLTR1LMNA
SCHEMBL9479238 0.86 AAK1 (0.47) EPHX2NR1H4CYSLTR2CYSLTR1LMNA
SCHEMBL9479292 0.86 EPHX2 (0.56) EPHX2NR1H4CYSLTR2CYSLTR1LMNA
SCHEMBL9479001 0.85 CYSLTR1 (0.60) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL9479142 0.84 CYSLTR2 (0.57) CYSLTR2CYSLTR1LMNANAMPT
SCHEMBL8951100 0.84 CYSLTR2 (0.53) CYSLTR2CYSLTR1LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227241-B1 Medicinal indole and indazole keto sulphone derivatives ZENECA INC (US) 1996-09-11 EP disclosed
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
US-4837235-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1989-06-06 US disclosed
EP-0227241-A2 Medicinal indole and indazole keto sulphone derivatives ZENECA INC. (US) 1987-07-01 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed