SCHEMBL8713426

SCHEMBL8713426

COc1cccc(C(=O)N(c2ccccc2OC)C(C)OC2CCCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
CHRNA1 P02708 1/20 0.37

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
SCHEMBL8713421 0.80 LMNA (0.53) LMNAHPGDALDH1A1MAPK1MEN1
SCHEMBL8713891 0.67 LMNA (0.64) LMNAHPGDALDH1A1MAPK1TSHR
SCHEMBL25621200 0.66 HPGD (0.47) LMNAHPGDALDH1A1GAANPC1
SCHEMBL8710643 0.66 LMNA (0.63) LMNAHPGDALDH1A1MAPK1MEN1
SCHEMBL5987851 0.66 DHFR (0.48) LMNAHPGDALDH1A1MAPTNPC1
SCHEMBL3058714 0.66 ALDH1A1 (0.46) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL12989210 0.65 CES2 (0.61) MAPK1MEN1KMT2ACES2CES1
SCHEMBL5727243 0.65 PKM (0.46) MEN1KMT2APOLBGAANPC1
SCHEMBL10600447 0.64 ALDH1A1 (0.41) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL3455720 0.64 SMN1; SMN2 (0.54) LMNAHPGDALDH1A1MAPK1MEN1

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
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed