SCHEMBL5858845

SCHEMBL5858845

COC1=C(OC)C(=O)C(c2cc(C)c(-c3cccc(OC)c3)c(C(=O)O)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.47
DHODH Q02127 3/20 0.44
PIN1 Q13526 1/20 0.42
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
NEK2 P51955 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ACLY P53396 1/20 0.39
NOTUM Q6P988 1/20 0.39
FBP1 P09467 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL5859208 0.89 PDE4B (0.43) DHODHLMNAALDH1A1HPGDKDM4E
SCHEMBL5862164 0.88 GPR35 (0.44) GPR35GSK3BPRKAB2PRKAG1PRKAA2
SCHEMBL5859069 0.84 NPC1 (0.46) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL6661310 0.84 ALDH1A1 (0.47) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL5859860 0.83 IKBKB (0.37) DHODHKDM4EPOLB
SCHEMBL5862147 0.82 KDM4E (0.42) GPR35DHODHLMNAALDH1A1HPGD
SCHEMBL5859907 0.82 RAB9A (0.49) ALDH1A1HPGDKDM4E
SCHEMBL5862118 0.80 GPR35 (0.46) GPR35DHODHALDH1A1KDM4EPOLB
SCHEMBL5859855 0.78 NPC1 (0.51) DHODHGSK3BLMNAALDH1A1HPGD
SCHEMBL5862046 0.75 NPC1 (0.50) GSK3BLMNAALDH1A1HPGDKDM4E

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
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed