SCHEMBL7595294

SCHEMBL7595294

COC(=O)Nc1cccc(C(CCNC(Oc2ccccc2)C(C)O)c2cccc(NC(=O)OC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
ALPL P05186 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL7768377 0.88 SMN1; SMN2 (0.48) CASRMEN1KMT2AALDH1A1LMNA
Sulfuric Acid SCHEMBL7540439 0.84 SMN1; SMN2 (0.44) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL7536032 0.80 KMT2A (0.43) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL7613185 0.79 RAB9A (0.53) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL7612545 0.78 CASR (0.46) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL7610407 0.77 GLA (0.48) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL7612159 0.76 RAB9A (0.46) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL7027312 0.76 MEN1 (0.65) CASRMEN1KMT2ACYP1A2ATM
SCHEMBL7022015 0.75 CASR (0.53) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL7610781 0.75 ADRB2 (0.40) CASRTSHRCYP1A2

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-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed