SCHEMBL11679299

SCHEMBL11679299

CN(CCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCN(C)C3CCCCC3)ccc1-2)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HSD17B1 P14061 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ LSS P48449 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL11550034 0.81 THRA (0.41) L3MBTL1MAPTNPC1RAB9ATHRA
SCHEMBL11780746 0.81 NPC1 (0.53) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL11678405 0.80 NPC1 (0.51) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL11677381 0.76 RAB9A (0.50) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL10008853 0.75 HSD17B3 (0.57) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL11678301 0.75 L3MBTL1 (0.49) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL21610337 0.74 HSD17B3 (0.58) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL4583779 0.74 HSD17B3 (0.58) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL11678331 0.74 THRA (0.49) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL11807876 0.73 NPC1 (0.44) L3MBTL1MAPTNPC1RAB9ATHRA

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
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