SCHEMBL9126430

SCHEMBL9126430

CC(C)(c1ccccc1)c1ccc(OC(=O)Nc2ccc(Sc3ccc(NC(=O)Oc4ccc(C(C)(C)c5ccccc5)cc4)cc3-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PORCN Q9H237 1/20 0.43
▸ GAA P10253 4/20 0.42
▸ THRB P10828 2/20 0.42
▸ GFER P55789 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ ALDH1A1 P00352 9/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL9128109 0.88 PORCN (0.52) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL9122885 0.88 ALDH1A1 (0.52) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL9126559 0.84 MAPT (0.48) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL9124673 0.83 MAPT (0.58) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL9125614 0.82 PORCN (0.55) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL9126941 0.82 PORCN (0.55) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL9126334 0.82 KDM4E (0.45) MAPTKDM4EKMT2AMEN1PORCN
SCHEMBL9127384 0.82 MAPT (0.48) MAPTKDM4EKMT2AMEN1POLB
SCHEMBL9127274 0.81 KMT2A (0.51) MAPTKDM4EKMT2AMEN1PORCN
SCHEMBL9123385 0.81 ALDH1A1 (0.45) MAPTKDM4EKMT2AMEN1ATM

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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