SCHEMBL9505544

SCHEMBL9505544

O=C(O)CSC(C(=O)O)c1ncccc1OCCCCCCOc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNA3 P22001 4/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL9560171 0.72 CYSLTR2 (0.63) MAPTCYSLTR2CYSLTR1PPARGPPARA
SCHEMBL9560036 0.72 CYSLTR2 (0.63) MAPTCYSLTR2CYSLTR1PPARGPPARA
SCHEMBL3803440 0.65 KCNA3 (0.67) ALDH1A1KCNA3HDAC1HDAC2
SCHEMBL5637949 0.65 HDAC1 (0.59) KCNA3HDAC1HDAC2PPARA
SCHEMBL5508343 0.65 TDP1 (0.61) MAPTALDH1A1KCNA3HDAC1HDAC2
SCHEMBL4756791 0.65 TDP1 (0.61) MAPTALDH1A1KCNA3HDAC1HDAC2
SCHEMBL25228768 0.64 PPARA (0.72) KCNA3HDAC1HDAC2PPARA
SCHEMBL1008297 0.64 PPARA (0.72) KCNA3HDAC1HDAC2PPARA
SCHEMBL712775 0.64 PPARA (0.72) KCNA3HDAC1HDAC2PPARA
SCHEMBL503552 0.64 PPARA (0.72) KCNA3HDAC1HDAC2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed