SCHEMBL7605885

SCHEMBL7605885

COC(=O)c1cc([C@@H](CO)N(CCC(c2ccc(OC)cc2)c2ccc(OC)cc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN2 P17706 2/20 0.40
PTPN1 P18031 2/20 0.40
PTPN6 P29350 2/20 0.40
LRRK2 Q5S007 2/20 0.40
F2 P00734 1/20 0.40
F7 P08709 1/20 0.40
EPOR P19235 1/20 0.39
CASR P41180 1/20 0.39

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
SCHEMBL7606168 0.91 PTPN2 (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7606604 0.85 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7610616 0.85 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7605019 0.83 MAPT (0.43) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7605883 0.82 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7610096 0.82 HDAC3 (0.44) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7606579 0.82 NR1H3 (0.43) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7614716 0.80 ALOX5 (0.39) EPOR
SCHEMBL7608457 0.79 BCHE (0.41) MAPTLMNARAB9ASMN1; SMN2EPOR
SCHEMBL7609855 0.78 NPC1 (0.44) MEN1KMT2ANPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed