SCHEMBL7367695

SCHEMBL7367695

O=C(CCl)CC(=O)OCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
CTDSP1 Q9GZU7 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
APOBEC3A P31941 2/20 0.49
APOBEC3G Q9HC16 2/20 0.49
MAPT P10636 1/20 0.49
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
FFAR1 O14842 1/20 0.48
CYP2D6 P10635 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL2431281 0.87 LMNA (0.64) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL8465673 0.87 LMNA (0.68) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL8465670 0.83 LMNA (0.64) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL18076001 0.82 TDP1 (0.58) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL18076009 0.81 TDP1 (0.56) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL7629438 0.81 LMNA (0.60) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL5413781 0.80 ALDH1A1 (0.59) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7319637 0.80 TDP1 (0.75) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL27852689 0.79 TDP1 (0.68) LMNASMN1; SMN2NPC1RAB9ARECQL
SCHEMBL13997917 0.78 TDP1 (0.72) LMNASMN1; SMN2NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218538-B1 ANTAGONISTS OF N-TYPE NEURONAL CALCIUM CHANNELS USEFUL IN THE TREATMENT OF CEREBROVASCULAR ISCHAEMIA AND PAIN. ASTRA AKTIEBOLAG (SE) 2001-04-17 US disclosed
US-6057332-A Substituted 1,4-dihydropyrimidine-5-carboxylate compounds, their preparation and uses ASTRA AKTIEBOLAG (SE) 2000-05-02 US disclosed
EP-0994859-A1 COMPOUNDS Astra Aktiebolag (publ) (SE) 2000-04-26 EP disclosed
EP-0993450-A1 NEW COMPOUNDS Astra Aktiebolag (publ) (SE) 2000-04-19 EP disclosed
WO-1999001438-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 WO disclosed
WO-1999001437-A1 COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 WO disclosed