SCHEMBL9902337

SCHEMBL9902337

CC(C)Oc1cc(C(=O)O)c2cc(Br)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.50
▸ KDM4E B2RXH2 8/20 0.45
▸ HPGD P15428 6/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ PTGER1 P34995 1/20 0.45
▸ PTGER3 P43115 1/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ PTGDR Q13258 1/20 0.45
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42

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
SCHEMBL643532 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL9902960 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL643065 0.74 SORT1 (0.49) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL1793961 0.71 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL4649906 0.70 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL28579350 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL7677575 0.69 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL711082 0.68 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4081642 0.68 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2ASMN1; SMN2POLB
Dimethylamine SCHEMBL28589149 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDKMT2AHSD17B10

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-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 — — EP disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 — — EP disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 — — EP disclosed
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