SCHEMBL4725858

SCHEMBL4725858

CCOc1nc2cccc(CCC(=O)O)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CHRM1 P11229 1/20 0.41
PARP1 P09874 3/20 0.39
PARP2 Q9UGN5 2/20 0.39
DHFR P00374 1/20 0.39
S1PR1 P21453 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4779978 0.87 GRIN2D (0.43) L3MBTL1KDM4CKDM4EALDH1A1HSD17B10
SCHEMBL23337439 0.80 KDM4E (0.44) L3MBTL1TP53KDM4CKDM4EALDH1A1
SCHEMBL4725397 0.79 KDM5B (0.43) TP53KDM4CKDM4EALDH1A1LMNA
SCHEMBL6829325 0.77 CHRM1 (0.46) HDAC6L3MBTL1CHRM1PARP1PARP2
SCHEMBL9588111 0.77 CHRM1 (0.49) HDAC6L3MBTL1CHRM1PARP1PARP2
SCHEMBL7260709 0.74 TSHR (0.49) TP53PARP1KDM4EALDH1A1LMNA
SCHEMBL5271758 0.74 KDM4E (0.44) L3MBTL1KDM4CKDM4EALDH1A1LMNA
SCHEMBL4365104 0.73 ELANE (0.42) TP53PARP1KDM4CALDH1A1ELANE
SCHEMBL28172168 0.73 KDM4C (0.42) TP53KDM4CKDM4EALDH1A1LMNA
SCHEMBL6946399 0.73 CHRM1 (0.55) HDAC6TP53CHRM1PARP1PARP2

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
WO-2008012852-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS S.I.M.S. S.r.l. - SOCIETÀ ITALIANA MEDICINALI SCANDICCI (IT) 2008-01-31 WO claimed
WO-2008012852-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS S.I.M.S. S.r.l. - SOCIETÀ ITALIANA MEDICINALI SCANDICCI (IT) 2008-01-31 WO disclosed