SCHEMBL7848712

SCHEMBL7848712

COc1ccc(C(=O)c2ccc(N(C)C)cc2OC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
MEN1 O00255 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
KMT2A Q03164 2/20 0.69
CYP3A4 P08684 1/20 0.69
TSHR P16473 1/20 0.69
NPC1 O15118 2/20 0.58
MAPT P10636 5/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 1/20 0.48
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
ELANE P08246 2/20 0.46
HPGD P15428 2/20 0.46
PGR P06401 1/20 0.46

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
SCHEMBL7850984 0.92 KMT2A (0.63) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL9218202 0.87 MAPT (0.55) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL9209028 0.87 NPC1 (0.77) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL7848711 0.83 LMNA (0.64) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL9312633 0.83 LMNA (0.64) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL9211658 0.80 MAPT (0.68) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL10531019 0.80 LTC4S (0.62) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL28968013 0.79 MAPT (0.67) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL22166431 0.78 KMT2A (0.72) LMNAMEN1CYP1A2CYP2C19KMT2A
SCHEMBL19409872 0.77 MAPT (0.73) LMNAMEN1CYP1A2CYP2C19KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266310-B1 Chromogenic phthalides CIBA SC HOLDING AG (CH) 2001-12-05 EP disclosed
EP-0437185-B1 Pyrroline-resp. indoline containing phthalides CIBA GEIGY AG (CH) 1995-10-18 EP disclosed
EP-0420808-B1 Pyran-containing phthalides CIBA GEIGY AG (CH) 1995-03-01 EP disclosed
EP-0437185-A2 Pyrroline-resp. indoline containing phthalides CIBA-GEIGY AG (CH) 1991-07-17 EP disclosed
EP-0420808-A2 Pyran-containing phthalides CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed