SCHEMBL7201053

SCHEMBL7201053

O=C(CCCc1ccccc1)NCCCc1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.89
LMNA P02545 2/20 0.76
TSHR P16473 1/20 0.76
HPGD P15428 3/20 0.74
GAA P10253 1/20 0.74
PKM P14618 1/20 0.71
HDAC3 O15379 3/20 0.68
HDAC1 Q13547 3/20 0.68
HDAC2 Q92769 3/20 0.68
HDAC8 Q9BY41 3/20 0.68
HDAC6 Q9UBN7 3/20 0.68
HDAC5 Q9UQL6 1/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
NCOR2 Q9Y618 2/20 0.68
HDAC4 P56524 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
TRPV1 Q8NER1 3/20 0.66
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64

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
SCHEMBL13073412 0.93 HDAC3 (0.78) L3MBTL1LMNATSHRHPGDPKM
SCHEMBL8355337 0.91 LMNA (0.91) L3MBTL1LMNATSHRHPGDGAA
SCHEMBL8356049 0.91 LMNA (0.85) L3MBTL1LMNATSHRHPGDGAA
SCHEMBL7015618 0.90 L3MBTL1 (0.78) L3MBTL1LMNATSHRHPGDGAA
SCHEMBL8357788 0.90 LMNA (0.88) L3MBTL1LMNATSHRHPGDGAA
SCHEMBL28502418 0.90 L3MBTL1 (0.78) L3MBTL1LMNATSHRHPGDGAA
SCHEMBL15224133 0.90 L3MBTL1 (0.78) L3MBTL1LMNATSHRHPGDGAA
SCHEMBL10627917 0.89 L3MBTL1 (0.83) L3MBTL1LMNATSHRHPGDGAA
SCHEMBL3393624 0.89 LMNA (0.77) L3MBTL1LMNATSHRHPGDGAA
SCHEMBL26393842 0.89 L3MBTL1 (0.72) L3MBTL1LMNATSHRHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015142001-A2 COMPOUND HAVING CARDIOTONIC ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HEART FAILURE, CONTAINING SAME 충남대학교산학협력단 2015-09-24 WO disclosed
EP-1326833-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2003-07-16 EP disclosed
WO-2002032869-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed
WO-2002032871-A2 COMPOUNDS AND METHODS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed