SCHEMBL9178362

SCHEMBL9178362

CCCc1c(CN(C)C)ccc(C(=O)c2ccccc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.46
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL9170767 0.84 CTSD (0.47) CTSDKDM4EMAPTALOX15MAPK1
SCHEMBL7974622 0.82 CYSLTR2 (0.47) MAPTLMNACYSLTR2CYSLTR1
SCHEMBL2862125 0.80 MAPT (0.49) CTSDTSHRKDM4EMAPTALOX15
SCHEMBL9175493 0.77 HTT (0.40) MAPTALDH1A1CYSLTR2CYSLTR1
SCHEMBL1446427 0.77 BCL2 (0.50) KDM4EMAPTALOX15MAPK1HSD17B10
SCHEMBL3070364 0.76 TYR (0.44) CTSDKDM4EMAPTALOX15MAPK1
SCHEMBL2868258 0.76 HPGD (0.47) TSHRKDM4EMAPTALOX15MAPK1
SCHEMBL9175489 0.76 CTSD (0.61) CTSDKDM4EMAPTALOX15HSD17B10
SCHEMBL2855431 0.75 PPARG (0.46) CTSDKDM4EMAPTALOX15MAPK1
SCHEMBL29236376 0.75 BCL2 (0.49) CTSDKDM4EMAPTALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393768-A Treating hypersensitivity reactions such as asthma ELI LILLY AND COMPANY (US) 1995-02-28 US disclosed
US-5105017-A Antiallergens ELI LILLY AND COMPANY (US) 1992-04-14 US disclosed
EP-0132366-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
EP-0132366-A2 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed