SCHEMBL9128959

SCHEMBL9128959

Cc1ccc(OC(=O)Nc2ccc(C(C)(C)c3cccc(O)c3)cc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ESRRG P62508 1/20 0.38
▸ BAZ1A Q9NRL2 1/20 0.38

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
SCHEMBL9127030 0.90 MAPT (0.41) ESR1ESR2ALDH1A1MAPTHTT
SCHEMBL9123643 0.89 ATM (0.41) ESR1ESR2BAZ1A
SCHEMBL9124208 0.81 ATM (0.46) ESR1ESR2MAPTBAZ1A
SCHEMBL9122204 0.81 ESR1 (0.50) MMP1MMP2MMP9ESR1ESR2
SCHEMBL9124272 0.80 ALDH1A1 (0.55) ALDH1A1MAPTHTT
SCHEMBL9127793 0.80 MAPT (0.52) ALDH1A1MAPTHTT
SCHEMBL9128171 0.80 ALDH1A1 (0.49) ESR1ESR2ALDH1A1
SCHEMBL9127577 0.79 UGCG (0.41) ESR1ESR2ALDH1A1MAPTHTT
SCHEMBL9124773 0.79 RXFP1 (0.44) ESR1ESR2ALDH1A1MAPT
SCHEMBL9126915 0.78 ESR1 (0.50) ESR1ESR2ALDH1A1MAPTHTT

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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