SCHEMBL9316944

SCHEMBL9316944

C[C@](N)(Cc1ccc2[nH]ccc2c1)C(=O)O.C[C@](N)(Cc1ccc2c(c1)=NC(=S)N=2)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CASP6 P55212 1/20 0.43

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
SCHEMBL6718038 0.86 ALDH1A1 (0.56) BLMKDM4EMAPTPTGS2MEN1
SCHEMBL6725312 0.86 BLM (0.56) BLMKDM4EMAPTPTGS2MEN1
SCHEMBL6725308 0.86 BLM (0.56) BLMKDM4EMAPTPTGS2MEN1
Water SCHEMBL11322500 0.85 CYP1A2 (0.55) BLMKDM4EMAPTPTGS2MEN1
SCHEMBL11600299 0.75 ALDH1A1 (0.57) BLMKDM4EMAPTPTGS2MEN1
Hydrochloric Acid SCHEMBL11602622 0.74 ALDH1A1 (0.56) BLMKDM4EMAPTPTGS2MEN1
SCHEMBL9316955 0.71 MEN1 (0.39) BLMKDM4EMAPTPTGS2MEN1
SCHEMBL6718046 0.69 HPGD (0.56) BLMKDM4EMAPTPTGS2MEN1
SCHEMBL4406628 0.67 CYP2A6 (0.46) MAPTUSP2CYP1A2CYP3A4GAA
SCHEMBL11558120 0.67 KDM4E (0.54) BLMKDM4EMAPTPTGS2MEN1

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 claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 — — EP claimed
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