SCHEMBL6879140

SCHEMBL6879140

CCOc1ccnc(CCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
HPGD P15428 2/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
FFAR1 O14842 5/20 0.42
FFAR4 Q5NUL3 3/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SQSTM1 Q13501 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL2830882 0.86 NOS1 (0.53) HPGDALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL14012773 0.80 NOS1 (0.41) TP53HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL17115680 0.78 KDM4E (0.44) HPGDALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL2964327 0.77 FFAR1 (0.46) SMN1; SMN2TSHRL3MBTL1FFAR1NPC1
SCHEMBL5657197 0.76 NOTUM (0.48) TP53HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL12585924 0.76 NQO1 (0.46) TP53HPGDALDH1A1CYP1A2TSHR
SCHEMBL15709664 0.75 NOS1 (0.44) HPGDALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL10743352 0.75 NOS1 (0.48) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL31422511 0.75 KDM4E (0.36) MITFTP53NCOA3ALDH1A1KDM4E
SCHEMBL7715426 0.74 NOS2 (0.54) KDM4ECYP1A2LMNANPSR1

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
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 WO disclosed