SCHEMBL7470827

SCHEMBL7470827

[CH2]CCCCCc1cccc([S+](C)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MGLL Q99685 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HDAC1 Q13547 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
IGF1R P08069 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5543419 0.80 ESR1 (0.36) LPLLIPGMGLL
SCHEMBL5546072 0.79
SCHEMBL5534974 0.78 LPL (0.34) LPLLIPGMGLLIGF1RALOX15
SCHEMBL7331351 0.77 LPL (0.34) LPLLIPGCYP4F2CYP4A11
SCHEMBL1610035 0.74 TAAR1 (0.55) LPLLIPGHDAC6HDAC1
SCHEMBL7648644 0.74 LPL (0.49) LPLLIPGPPARGPPARASIGMAR1
SCHEMBL9306884 0.74 LPL (0.45) LPLLIPGPPARGPPARACYP4F2
SCHEMBL3022631 0.74 LPL (0.57) LPLLIPGPPARGPPARA
SCHEMBL1610915 0.74 TAAR1 (0.55) LPLLIPGHDAC6HDAC1
SCHEMBL1610691 0.74 TAAR1 (0.55) LPLLIPGHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed