SCHEMBL9316682

SCHEMBL9316682

C[C@@](N)(C(=O)O)C(O)c1cc(O)cc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.40
KMT2A Q03164 4/20 0.40
HIF1A Q16665 4/20 0.40
LMNA P02545 4/20 0.40
ADRB2 P07550 3/20 0.40
CASP7 P55210 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA1A P35348 2/20 0.37
APEX1 P27695 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.37
CYP1A2 P05177 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
SCHEMBL7271724 0.77 TDP1 (0.51) BLMKMT2AHIF1ALMNAADRB2
SCHEMBL7271731 0.77 TDP1 (0.51) BLMKMT2AHIF1ALMNAADRB2
SCHEMBL3109355 0.77 AOC3 (0.52) HIF1ALMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL3109358 0.77 AOC3 (0.52) HIF1ALMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL9316845 0.75 ADRB2 (0.35) BLMKMT2AHIF1ALMNAADRB2
SCHEMBL9317724 0.73 HSD17B10 (0.43) BLMKMT2AHIF1ALMNACASP7
Phloroglucinol SCHEMBL9899885 0.73 CA12 (0.48) BLMKMT2ALMNACYP3A4TSHR
SCHEMBL27644447 0.70 BLM (0.44) BLMKMT2AHIF1ALMNAADRB2
SCHEMBL2996171 0.69 GRM4 (0.43) KMT2ALMNACYP3A4TSHRMEN1
SCHEMBL14608896 0.68 CYP1A2 (0.46) BLMKMT2ALMNACYP3A4KDM4E

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-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed