SCHEMBL9665124

SCHEMBL9665124

Cc1cccc(CCC(=O)CCCCCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
FFAR4 Q5NUL3 1/20 0.53
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
FFAR1 O14842 4/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
NAAA Q02083 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.46
ADRA1A P35348 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
SCHEMBL29057552 0.89 MAPT (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL713464 0.89 MAPT (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL765851 0.89 MAPT (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9663089 0.89 MAPT (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3249491 0.87 MAPT (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7337631 0.87 TAAR1 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5101251 0.85 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL456436 0.85 FFAR4 (0.67) FFAR4THRATHRBFFAR1
SCHEMBL7507667 0.83 MMP12 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC11
Sebacic Acid SCHEMBL9311898 0.82 HDAC11 (0.52) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273451-B1 LIPOXYGENASE INHIBITORY COMPOUNDS Bristol-Myers Squibb Company (US) 1992-04-01 EP disclosed
US-4861798-A Lipoxygenase inhibitory compounds BRISTOL-MYERS COMPANY (US) 1989-08-29 US disclosed
EP-0273451-A2 Lipoxygenase inhibitory compounds Bristol-Myers Squibb Company (US) 1988-07-06 EP disclosed