SCHEMBL9124773

SCHEMBL9124773

CCOc1ccccc1OC(=O)Nc1ccc(C(C)(C)c2cccc(O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ FAAH O00519 8/20 0.42
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL9123643 0.85 ATM (0.41) ATMFAAHESR1ESR2
SCHEMBL9124208 0.84 ATM (0.46) MEN1KMT2AATMFAAHMAPT
SCHEMBL9128171 0.83 ALDH1A1 (0.49) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL9127577 0.83 UGCG (0.41) MEN1KMT2AATMFAAHMAPT
SCHEMBL9127793 0.82 MAPT (0.52) MEN1KMT2AATMFAAHMAPT
SCHEMBL9124272 0.82 ALDH1A1 (0.55) MEN1KMT2AATMFAAHMAPT
SCHEMBL9122204 0.80 ESR1 (0.50) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL9128959 0.79 MMP1 (0.40) MAPTALDH1A1ESR1ESR2
SCHEMBL9125861 0.79 RAB9A (0.57) FAAHSMN1; SMN2NPC1ALDH1A1
SCHEMBL9126053 0.79 POLB (0.40) RXFP1MEN1KMT2AATMFAAH

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