SCHEMBL6578330

SCHEMBL6578330

C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CTSK P43235 5/20 0.49
CTSS P25774 4/20 0.49
EPHX1 P07099 1/20 0.45
GAA P10253 1/20 0.43
BTK Q06187 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL11505471 0.88 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL11096628 0.88 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL29401603 0.88 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL29400626 0.88 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL29398036 0.88 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL3709453 0.86 CTSS (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL14677155 0.86 HDAC4 (0.52) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL9099315 0.86 CTSS (0.60) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL4210214 0.86 HDAC4 (0.52) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL2320810 0.86 HDAC4 (0.52) HDAC4HDAC1HDAC6CTSKCTSS

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-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
US-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed