SCHEMBL9603335

SCHEMBL9603335

CCCCc1nc(C(=O)OC(C)(C)C)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.35
DDX3X O00571 1/20 0.34
HCAR2 Q8TDS4 3/20 0.34
HCAR3 P49019 1/20 0.34
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL6006960 0.75 MAPT (0.44) MAPTTSHRDDX3XHCAR2HCAR3
SCHEMBL6006605 0.74 LMNA (0.44) MAPTTSHRDDX3XALDH1A1NPSR1
SCHEMBL6007018 0.72 NPSR1 (0.44) MAPTTSHRDDX3XALDH1A1NPSR1
SCHEMBL6004545 0.72 NPSR1 (0.44) MAPTTSHRDDX3XALDH1A1NPSR1
SCHEMBL6007172 0.71 TSHR (0.39) MAPTTSHRALDH1A1
SCHEMBL8811268 0.70 GPR84 (0.36) ALDH1A1
SCHEMBL6007023 0.69 CTSK (0.33) MAPTDDX3X
SCHEMBL2574903 0.69 KDM4E (0.44) MAPTALDH1A1NPSR1
SCHEMBL6007194 0.68 ALDH1A1 (0.42) MAPTTSHRDDX3XHCAR2HCAR3
Benzene SCHEMBL27911231 0.68 TLR8 (0.41) MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217985-A RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-06-08 US disclosed