SCHEMBL11678331

SCHEMBL11678331

CCCCN(CCCC)CCCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCCN(CCCC)CCCC)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B3 P37058 7/20 0.45
HSD17B1 P14061 1/20 0.42
HTR7 P34969 1/20 0.42
SRD5A2 P31213 1/20 0.40

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
SCHEMBL11678301 0.90 L3MBTL1 (0.49) KDM4EL3MBTL1NPC1MAPTRAB9A
SCHEMBL10008853 0.88 HSD17B3 (0.57) KDM4EL3MBTL1NPC1MAPTRAB9A
SCHEMBL4583779 0.87 HSD17B3 (0.58) KDM4EL3MBTL1NPC1MAPTRAB9A
SCHEMBL21610337 0.87 HSD17B3 (0.58) KDM4EL3MBTL1NPC1MAPTRAB9A
SCHEMBL2938985 0.87 RAB9A (0.58) KDM4EL3MBTL1NPC1MAPTRAB9A
SCHEMBL11677381 0.86 RAB9A (0.50) THRATHRBKDM4EL3MBTL1NPC1
SCHEMBL11678405 0.84 NPC1 (0.51) THRATHRBKDM4EL3MBTL1NPC1
SCHEMBL9597813 0.81 KDM4E (0.64) KDM4EL3MBTL1NPC1MAPTRAB9A
SCHEMBL11867670 0.80 THRA (0.40) THRATHRBKDM4EL3MBTL1HSD17B3
SCHEMBL11780746 0.80 NPC1 (0.53) THRATHRBKDM4EL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 US disclosed