SCHEMBL9126885

SCHEMBL9126885

CC(C)(c1ccc(O)cc1)c1ccc(NC(=O)OCc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ POLB P06746 1/20 0.48
▸ NPY5R Q15761 1/20 0.47
▸ PGR P06401 1/20 0.46
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ KDM1A O60341 2/20 0.45
▸ MAOA P21397 2/20 0.45

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
SCHEMBL9125031 0.90 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9123589 0.85 SMN1; SMN2 (0.57) HPGDNPC1RAB9ACRHBPCRHR2
SCHEMBL9128215 0.84 MEN1 (0.61) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9124306 0.83 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9126345 0.81 NPC1 (0.67) HPGDNPC1RAB9ACRHBPCRHR2
SCHEMBL9124905 0.80 ALDH1A1 (0.61) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9127194 0.80 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9124089 0.80 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1870929 0.79 POLB (0.71) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9123663 0.79 RAB9A (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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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