SCHEMBL10986985

SCHEMBL10986985

COC(=O)CCCCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.63
HDAC8 Q9BY41 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
HPGD P15428 2/20 0.60
LMNA P02545 4/20 0.57
FFAR1 O14842 1/20 0.57
CYP1A2 P05177 1/20 0.57
RAB9A P51151 1/20 0.57
HIF1A Q16665 1/20 0.57
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53

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
SCHEMBL10001233 0.90 SMN1; SMN2 (0.66) HDAC1HDAC8SMN1; SMN2L3MBTL1HPGD
SCHEMBL6336402 0.90 TDP1 (0.68) HDAC1HDAC8SMN1; SMN2L3MBTL1HPGD
SCHEMBL6156819 0.88 TDP1 (0.71) HDAC1HDAC8SMN1; SMN2L3MBTL1HPGD
SCHEMBL29048469 0.88 TDP1 (0.71) HDAC1HDAC8SMN1; SMN2L3MBTL1HPGD
SCHEMBL4172632 0.88 TDP1 (0.71) HDAC1HDAC8SMN1; SMN2L3MBTL1HPGD
SCHEMBL6913209 0.88 TDP1 (0.71) HDAC1HDAC8SMN1; SMN2L3MBTL1HPGD
SCHEMBL6388993 0.87 KMT2A (0.50) HDAC1HDAC8SMN1; SMN2L3MBTL1HPGD
SCHEMBL941120 0.86 TDP1 (0.62) HDAC1HDAC8SMN1; SMN2L3MBTL1HPGD
SCHEMBL10844824 0.84 MMP1 (0.60) HDAC1HDAC8L3MBTL1LMNARAB9A
SCHEMBL10651358 0.84 NPC1 (0.59) HDAC1HDAC8L3MBTL1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4536515-A Substituted phenylalkenoic acids and esters MERCK FROSST CANADA, INC. (CA) 1985-08-20 US disclosed
US-4453005-A Process for preparing substituted phenylalkenoic acids MERCK FROSST CANADA, INC. (CA) 1984-06-05 US disclosed