SCHEMBL9400123

SCHEMBL9400123

COC(=O)CCSc1cc(C)c(N)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.46
▸ VCAM1 P19320 8/20 0.44
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL9399916 0.86 ALDH1A1 (0.35) PTGS1VCAM1HPGDALDH1A1L3MBTL1
SCHEMBL9399938 0.84 MAPT (0.37) PTGS1HPGDALDH1A1L3MBTL1MAPT
SCHEMBL9328168 0.83 PTGS1 (0.61) PTGS1VCAM1ALDH1A1MAPT
SCHEMBL9399421 0.79 ALDH1A1 (0.39) PTGS1VCAM1HPGDALDH1A1L3MBTL1
SCHEMBL9400102 0.77 THRB (0.39) HPGDALDH1A1L3MBTL1MAPTPOLB
SCHEMBL9399971 0.77 VCAM1 (0.33) VCAM1
SCHEMBL16488510 0.73 CXCR1 (0.38) PTGS1ALDH1A1L3MBTL1MAPTPOLB
SCHEMBL11182661 0.72 VCAM1 (0.42) PTGS1VCAM1HPGDALDH1A1L3MBTL1
SCHEMBL13756255 0.72 PTGS1 (0.41) PTGS1VCAM1HPGDALDH1A1L3MBTL1
SCHEMBL8336534 0.71 GAA (0.53) PTGS1VCAM1HPGDALDH1A1L3MBTL1

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
US-5145970-A Oil additives CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US claimed
US-5321067-A Oxidation, heat resistance CIBA-GEIGY CORPORATION (US) 1994-06-14 — — US disclosed
US-5145970-A Oil additives CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
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