SCHEMBL9128495

SCHEMBL9128495

CCCCC(CC)COC(=O)Nc1ccc(O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 5/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ CA2 P00918 1/20 0.53
▸ EP300 Q09472 1/20 0.53
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.46
▸ IDO1 P14902 5/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL14545166 0.89 ALDH1A1 (0.56) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL11798186 0.79 ALDH1A1 (0.62) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL8652532 0.78 LMNA (0.54) LMNAALDH1A1CYP3A4CA2EP300
SCHEMBL8651105 0.76 ALDH1A1 (0.55) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL25698136 0.76 ALDH1A1 (0.58) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL8602691 0.76 LMNA (0.54) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL1835542 0.75 LMNA (0.53) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL13431874 0.75 ALDH1A1 (0.53) LMNAALDH1A1CYP3A4CA2PRSS1
SCHEMBL17912855 0.75 LMNA (0.51) LMNAALDH1A1CYP3A4CA2EP300
SCHEMBL8602437 0.74 LMNA (0.52) LMNAALDH1A1CYP3A4CA2PRSS1

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-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 — — EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 — — US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 — — US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
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