SCHEMBL4780409

SCHEMBL4780409

CCOC(=O)C(CC(C)C)C(=O)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.48
ALOX5 P09917 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL4778301 0.87 LMNA (0.50) MMP8ALOX5HPGDSMN1; SMN2MAPT
SCHEMBL4779871 0.86 MMP8 (0.59) MMP8ALOX5SMN1; SMN2MAPTPKM
SCHEMBL4779783 0.84 TDP1 (0.49) MMP8ALOX5SMN1; SMN2LMNAHDAC3
SCHEMBL4780672 0.83 ALOX5 (0.52) ALOX5HPGDSMN1; SMN2MAPTLMNA
SCHEMBL4780675 0.81 ALOX5 (0.50) ALOX5HPGDSMN1; SMN2MAPTLMNA
SCHEMBL7060674 0.80 TDP1 (0.49) MMP8ALOX5HPGDSMN1; SMN2MAPT
SCHEMBL4810713 0.79 ALOX5 (0.51) ALOX5HPGDSMN1; SMN2MAPTHDAC3
SCHEMBL6714506 0.78 TDP1 (0.65) MMP8ALOX5SMN1; SMN2MAPTLMNA
SCHEMBL9595087 0.78 SMN1; SMN2 (0.60) HPGDSMN1; SMN2LMNAPKMHDAC3
SCHEMBL11204299 0.77 TDP1 (0.59) MMP8ALOX5SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed