SCHEMBL7464870

SCHEMBL7464870

O=C(CCCCCl)c1ccc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 5/20 0.57
HSD17B10 Q99714 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL10975814 0.95 TSHR (0.62) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL14436880 0.82 TSHR (0.84) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL11064308 0.82 TSHR (0.61) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL7083571 0.82 TSHR (0.61) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL16516272 0.81 TSHR (0.59) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9049759 0.81 TSHR (0.59) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL21061174 0.81 TSHR (0.59) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9150872 0.81 TSHR (0.59) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL30807225 0.80 TSHR (0.62) TSHRRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL5115040 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958290-B1 1,4-DIHYDROPYRIDIN DERIVATIVES AND THEIR USE IN THERAPY LAFON LABOR (FR) 2002-07-31 EP disclosed
US-6166035-A 1,4-dihydropyridine derivatives and their use in therapy LABORATOIRE L. LAFON (FR) 2000-12-26 US disclosed
EP-0958290-A1 1,4-DIHYDROPYRIDIN DERIVATIVES AND THEIR USE IN THERAPY LABORATOIRE L. LAFON (FR) 1999-11-24 EP disclosed
WO-1998031680-A1 1,4-DIHYDROPYRIDIN DERIVATIVES AND THEIR USE IN THERAPY LABORATOIRE L. LAFON (FR) 1998-07-23 WO disclosed