SCHEMBL6935977

SCHEMBL6935977

Cc1ccc(CC(=O)CCCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
CTBP2 P56545 1/20 0.46
VNN1 O95497 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 3/20 0.43
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
FFAR1 O14842 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
SCHEMBL3993196 0.83 L3MBTL1 (0.55) L3MBTL1TDP1RAB9ANPC1CTBP2
SCHEMBL4940818 0.83 L3MBTL1 (0.62) L3MBTL1TDP1RAB9ANPC1CTBP2
SCHEMBL1411319 0.82 L3MBTL1 (0.62) L3MBTL1TDP1RAB9ANPC1CTBP2
SCHEMBL6942764 0.81 NR1H4 (0.46) VNN1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7038529 0.80 GAA (0.47) TDP1RAB9ACTBP2VNN1KMT2A
SCHEMBL12731519 0.80 L3MBTL1 (0.61) L3MBTL1TDP1RAB9ANPC1CTBP2
SCHEMBL8623776 0.80 L3MBTL1 (0.61) L3MBTL1TDP1RAB9ANPC1CTBP2
SCHEMBL2397311 0.80 L3MBTL1 (0.66) L3MBTL1TDP1RAB9ANPC1CTBP2
SCHEMBL6936332 0.79 HTT (0.56) NPC1CTBP2VNN1ALDH1A1CNR2
SCHEMBL5572550 0.79 L3MBTL1 (0.55) L3MBTL1TDP1CTBP2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294671-A2 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2003-03-26 EP disclosed
WO-2001096272-A2 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2001-12-20 WO disclosed
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed
EP-0628045-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
EP-0628046-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
WO-1993017023-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed
WO-1993017024-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed