SCHEMBL9127228

SCHEMBL9127228

Cc1ccc(CNC(=O)Oc2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ FAAH O00519 2/20 0.46
▸ MAPK14 Q16539 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ NR1H4 Q96RI1 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ EPHX2 P34913 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL17549813 0.82 RAB9A (0.60) NPC1RAB9AFAAHLMNASMN1; SMN2
SCHEMBL9123632 0.80 MAPT (0.58) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL9127366 0.80 MAPT (0.58) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL13029379 0.79 ESR1 (0.53) LMNAMEN1KMT2AL3MBTL1HPGD
SCHEMBL25851017 0.77 KMT2A (0.57) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL14524519 0.77 RAB9A (0.45) NPC1RAB9AFAAHNR1H4SMN1; SMN2
SCHEMBL9129143 0.76 KDM4E (0.48) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL9124950 0.76 ALDH1A1 (0.47) LMNASMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL28525779 0.76 NPC1 (0.62) NPC1RAB9AHPGDHSD17B10ALDH1A1
SCHEMBL25612493 0.76 ESR1 (0.53) LMNAMEN1KMT2AL3MBTL1HPGD

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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