SCHEMBL8713421

SCHEMBL8713421

COc1cccc(C(=O)N(CCOC2CCCCO2)c2ccccc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
NPY1R P25929 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
C5AR1 P21730 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
SCHEMBL8713426 0.80 LMNA (0.46) LMNAHPGDNPC1RAB9AHTT
SCHEMBL8710643 0.78 LMNA (0.63) LMNAHPGDNPC1RAB9AHTT
SCHEMBL9226595 0.75 HTR2A (0.42) LMNAKMT2AKDM4E
SCHEMBL8713891 0.74 LMNA (0.64) LMNAHPGDNPC1RAB9AHTT
SCHEMBL2499084 0.70 KMT2A (0.53) LMNAHPGDNPC1RAB9AHTT
SCHEMBL9230549 0.70 HSD11B1 (0.57) LMNAHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL12193490 0.69 KMT2A (0.67) HPGDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2549019 0.69 KDM4C (0.43) LMNANPC1RAB9AHTTMEN1
SCHEMBL1763723 0.69 KMT2A (0.57) LMNAHPGDRAB9AMEN1KMT2A
Oxalic Acid SCHEMBL9217850 0.68 HSD11B1 (0.55) LMNAHTTKMT2ASMN1; SMN2ALDH1A1

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