SCHEMBL9127604

SCHEMBL9127604

CC(C)(c1ccc(O)cc1)c1ccc(NC(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.53
MAPT P10636 6/20 0.52
GAA P10253 4/20 0.52
KDM4E B2RXH2 4/20 0.52
THRB P10828 3/20 0.52
GFER P55789 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GLA P06280 1/20 0.52
BLM P54132 1/20 0.52
CASP6 P55212 1/20 0.52
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 6/20 0.51
USP2 O75604 1/20 0.51
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 5/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL9123549 1.00 ELANE (0.53) ELANEMAPTGAAKDM4ETHRB
SCHEMBL9124673 0.91 MAPT (0.58) MAPTGAAKDM4ETHRBGFER
SCHEMBL9124905 0.90 ALDH1A1 (0.61) MAPTGAAKDM4ETHRBGFER
SCHEMBL9126567 0.90 ALDH1A1 (0.61) MAPTGAAKDM4ETHRBGFER
SCHEMBL9123589 0.88 SMN1; SMN2 (0.57) MAPTGAAKDM4ETHRBGFER
SCHEMBL9126941 0.88 PORCN (0.55) MAPTGAAKDM4ETHRBGFER
SCHEMBL9125614 0.88 PORCN (0.55) MAPTGAAKDM4ETHRBGFER
SCHEMBL9125873 0.86 MAPT (0.56) ELANEMAPTGAAKDM4ETHRB
SCHEMBL9126276 0.86 MAPT (0.56) ELANEMAPTGAAKDM4ETHRB
SCHEMBL9126959 0.84 MAPT (0.48) ELANEMAPTGAAKDM4ETHRB

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