SCHEMBL6935948

SCHEMBL6935948

CCCc1c(O)ccc(C(N)=O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.44
▸ LTB4R2 Q9NPC1 2/20 0.44
▸ NNMT P40261 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL7046976 0.86 CYSLTR2 (0.45) LTB4RLTB4R2MAPTCYP3A4ALDH1A1
SCHEMBL27677557 0.82 KDM4E (0.39) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL9196144 0.81 LTB4R (0.60) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8957148 0.80 PRKCI (0.41) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL29283569 0.80 HMGCR (0.36) LTB4RLTB4R2MAPTLMNAKDM4E
SCHEMBL27556628 0.78 NNMT (0.44) NNMTMAPTLMNACYP3A4KDM4E
SCHEMBL8878063 0.78 ACHE (0.44) LTB4RLTB4R2NNMTMAPTMEN1
SCHEMBL30645263 0.78 NNMT (0.39) LTB4RLTB4R2NNMTMAPTMEN1
SCHEMBL23630667 0.77 ALOX5 (0.51) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL8210818 0.77 ALOX5 (0.51) MAPTMEN1NR1I2LMNACHRM2

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
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 — — EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 — — EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 — — EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 — — WO disclosed
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