SCHEMBL8998161

SCHEMBL8998161

COC(=O)C(C(=O)c1ccc(C(C)c2c[nH]c3ccc(NC(=O)NC4CCCC4)cc23)c(OC)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.44
CYSLTR2 Q9NS75 2/20 0.44
EPHX2 P34913 7/20 0.43
PPARG P37231 7/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
EPHX1 P07099 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8998136 0.90 CYSLTR1 (0.55) CYSLTR1CYSLTR2EPHX2PPARGMAPT
SCHEMBL8951512 0.85 NPC1 (0.44) CYSLTR1CYSLTR2EPHX2PPARGTP53
SCHEMBL8951557 0.83 EPHX2 (0.52) EPHX2TP53ALDH1A1EPHX1NPC1
SCHEMBL10562495 0.81 CYSLTR2 (0.44) CYSLTR1CYSLTR2LMNA
SCHEMBL4466433 0.80 CYSLTR1 (0.60) CYSLTR1CYSLTR2EPHX2PPARGMAPT
SCHEMBL8998257 0.78 CYSLTR1 (0.47) CYSLTR1CYSLTR2EPHX2PPARGMAPT
SCHEMBL6357802 0.76 CYSLTR1 (0.73) CYSLTR1CYSLTR2EPHX2PPARGMAPT
SCHEMBL8951514 0.76 CYSLTR1 (0.72) CYSLTR1CYSLTR2EPHX2PPARGMAPT
SCHEMBL8998156 0.76 CYSLTR1 (0.75) CYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL4468804 0.75 CYSLTR1 (0.59) CYSLTR1CYSLTR2EPHX2PPARG

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 3 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-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