SCHEMBL9009958

SCHEMBL9009958

CCC(C)N(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ALDH1A1 P00352 3/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
MCL1 Q07820 7/20 0.42
BCL2L1 Q07817 4/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CDC25B P30305 2/20 0.39
CDC25A P30304 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL9010008 0.87 KMT2A (0.65) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10915345 0.84 KMT2A (0.65) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10913804 0.84 KMT2A (0.62) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9618590 0.82 KMT2A (0.78) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL29570529 0.81 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6205557 0.81 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8311620 0.81 KMT2A (0.64) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL39206 0.80 KMT2A (1.00) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9010025 0.80 KMT2A (0.63) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9629674 0.80 ALDH1A1 (0.71) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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-0466040-B1 Crystals of fluoran compound, crystalline solvates thereof, process for their preparation and recording material comprising said crystal or said solvate MITSUI TOATSU CHEMICALS (JP) 1996-11-06 EP disclosed
US-5302571-A Useful as chromogenic compounds in pressure or heat sensitive recording materials MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US disclosed
US-5245049-A Phthalein dyes MITSUI TOATSU CHEMICALS, INC. (JP) 1993-09-14 US disclosed
EP-0466040-A1 Crystals of fluoran compound, crystalline solvates thereof, process for their preparation and recording material comprising said crystal or said solvate MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP disclosed