SCHEMBL11679296

SCHEMBL11679296

CC1(NCCCC(=O)c2ccc3c(c2)Cc2cc(C(=O)CCCNC4(C)CCCCC4)ccc2-3)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RAB9A P51151 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ HSD17B1 P14061 1/20 0.39
▸ SRD5A2 P31213 1/20 0.37
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL11550032 0.81 TBXA2R (0.37) KDM4ERAB9AMAPTNPC1PTGS1
SCHEMBL11676745 0.76 RAB9A (0.50) KDM4EL3MBTL1RAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL11678025 0.75 RAB9A (0.49) KDM4EL3MBTL1RAB9AMAPTNPC1
SCHEMBL2938985 0.73 RAB9A (0.58) KDM4EL3MBTL1RAB9AMAPTNPC1
SCHEMBL11807872 0.72 DPP4 (0.36) RAB9AMAPTNPC1PTGS1PTGS2
SCHEMBL10008853 0.72 HSD17B3 (0.57) KDM4EL3MBTL1RAB9AMAPTNPC1
SCHEMBL4583779 0.71 HSD17B3 (0.58) KDM4EL3MBTL1RAB9AMAPTNPC1
SCHEMBL21610337 0.71 HSD17B3 (0.58) KDM4EL3MBTL1RAB9AMAPTNPC1
SCHEMBL11677470 0.70 RAB9A (0.53) KDM4EL3MBTL1RAB9AMAPTNPC1
SCHEMBL11678610 0.70 RAB9A (0.53) KDM4EL3MBTL1RAB9AMAPTNPC1

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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