SCHEMBL9126391

SCHEMBL9126391

CCOC(=O)Nc1ccc(Sc2ccc(NC(=O)OCC)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 4/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL9126182 0.86 GSK3B (0.39) TNIKPOLBRAB9ANPC1CYP1A2
SCHEMBL9125166 0.86 SMN1; SMN2 (0.52) TNIKHTTMAPK1LMNAALOX15
SCHEMBL9124834 0.86 RAB9A (0.47) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9124123 0.85 ALDH1A1 (0.46) TNIKRAB9ANPC1CYP1A2CYP2C19
SCHEMBL9124291 0.84 AGPAT2 (0.42) TNIKHSD17B10MAPK1HPGDALDH1A1
SCHEMBL9122235 0.83 TNIK (0.50) TNIKPOLBRAB9ANPC1CYP1A2
SCHEMBL9126559 0.81 MAPT (0.48) POLBCYP2D6CYP3A4HTTHSD17B10
SCHEMBL9126635 0.79 PTPN1 (0.47) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL352811 0.79 RAB9A (0.63) POLBRAB9ANPC1CYP1A2CYP2C9
SCHEMBL9122885 0.79 ALDH1A1 (0.52) POLBCYP1A2HSD17B10LMNAMAPT

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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