SCHEMBL9126915

SCHEMBL9126915

Cc1cc(C(C)(C)c2ccc(OC(=O)Nc3ccccc3)c(C)c2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.50
▸ ESR2 Q92731 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40

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
SCHEMBL9123516 0.83 POLB (0.47) KDM4EKMT2AMAPTMEN1POLB
SCHEMBL9123945 0.82 ESR1 (0.50) ESR1ESR2KDM4EKMT2AMAPT
SCHEMBL12761349 0.81 ESR1 (0.54) ESR1ESR2KDM4EKMT2AMAPT
SCHEMBL22012376 0.80 ESR1 (0.65) ESR1ESR2
SCHEMBL22012375 0.80 ESR1 (0.53) ESR1ESR2KDM4EMAPTHSD17B10
SCHEMBL22012374 0.80 ESR1 (0.53) ESR1ESR2KDM4EMAPTHSD17B10
SCHEMBL9124864 0.80 ESR1 (0.53) ESR1ESR2
SCHEMBL5034647 0.78 ESR1 (0.62) ESR1ESR2KDM4EHSD17B10ALDH1A1
SCHEMBL9128959 0.78 MMP1 (0.40) ESR1ESR2MAPTALDH1A1HTT
SCHEMBL9127562 0.78 ATM (0.44) ATMHTT

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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