SCHEMBL9124208

SCHEMBL9124208

CC(C)(c1ccc(NC(=O)Oc2ccccc2Cl)cc1)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ ROCK2 O75116 1/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ BAZ1A Q9NRL2 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9122347 0.89 ATM (0.51) ATMROCK2ESR1ESR2POLB
SCHEMBL9123643 0.87 ATM (0.41) ATMESR1ESR2BAZ1AFAAH
SCHEMBL9128171 0.85 ALDH1A1 (0.49) ATMROCK2ESR1ESR2POLB
SCHEMBL9127577 0.84 UGCG (0.41) ATMESR1ESR2POLBMEN1
SCHEMBL9124773 0.84 RXFP1 (0.44) ATMESR1ESR2MEN1KMT2A
SCHEMBL9124272 0.83 ALDH1A1 (0.55) ATMPOLBMEN1KMT2AMAPT
SCHEMBL9127793 0.83 MAPT (0.52) ATMPOLBMEN1KMT2AMAPT
SCHEMBL9122245 0.83 MAPT (0.46) ATMESR1ESR2POLBMEN1
SCHEMBL9122204 0.81 ESR1 (0.50) ESR1ESR2POLBMEN1KMT2A
SCHEMBL9128959 0.81 MMP1 (0.40) ESR1ESR2BAZ1AMAPT

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
Send feedback