SCHEMBL11548375

SCHEMBL11548375

CCCCCC(O)CCCC(CCCc1ccc(C(=O)NCCN(C)C)cc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.41
PLK1 P53350 1/20 0.41
OPRK1 P41145 1/20 0.41
ESRRG P62508 2/20 0.40
SETD7 Q8WTS6 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 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
SCHEMBL11551479 0.84 PLK1 (0.47) THRATHRBPLK1TRPV1
SCHEMBL11549274 0.80 RARB (0.56) THRATHRBALDH1A1TRPV1
SCHEMBL11546230 0.80 RARB (0.56) THRATHRBALDH1A1TRPV1
SCHEMBL11549509 0.80 RARB (0.56) THRATHRBALDH1A1TRPV1
SCHEMBL11546147 0.79 CYP4A11 (0.50) THRATHRBPLK1TRPV1
SCHEMBL11547639 0.79 RARB (0.57) THRATHRBALDH1A1TRPV1
SCHEMBL11665929 0.76 DNM1 (0.66) TRPV1
SCHEMBL11616879 0.72 DNM1 (0.60) TRPV1
SCHEMBL7214868 0.72 THRA (0.64) TMEM97SIGMAR1THRATHRBALDH1A1
SCHEMBL7215489 0.71 THRA (0.63) TMEM97SIGMAR1THRATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175203-A TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS MERCK & CO., INC. (US) 1979-11-20 US claimed
US-4175203-A TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS MERCK & CO., INC. (US) 1979-11-20 US disclosed
US-4150235-A ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4140861-A RENAL DISFUNCTION, ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1979-02-20 US disclosed