SCHEMBL4659864

SCHEMBL4659864

COC(=O)C(Cl)(Cl)CCCCCC(O)CCCCc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
ACLY P53396 1/20 0.39
MME P08473 1/20 0.38
TRPA1 O75762 1/20 0.38
GAA P10253 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38

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
SCHEMBL4661240 0.95 HTR1A (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4661128 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4659918 0.89 PPARA (0.38) PPARAPPARGACLYCNR1FPR2
SCHEMBL4659861 0.86 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4661171 0.85 MME (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4659889 0.85 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4662607 0.85 ACACB (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4659891 0.82 GAA (0.47) GAACYP1A2CNR1S1PR2S1PR1
SCHEMBL4661257 0.81 MMP12 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4662610 0.81 MME (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2

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-1627866-B1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2008-12-24 EP disclosed
US-7109242-B2 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2006-09-19 US disclosed
EP-1627866-A1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-02-22 EP disclosed