SCHEMBL11617170

SCHEMBL11617170

CCC(=O)Oc1c(C)c(C)nn1Cc1ccc(C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.41
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 4/20 0.39
▸ CCR2 P41597 1/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11617121 0.84 PTGDR2 (0.40) PTGDR2TP53CCR2SMN1; SMN2LMNA
SCHEMBL11616977 0.83 PTGDR2 (0.39) PTGDR2CCR2SMN1; SMN2LMNAMEN1
SCHEMBL11615839 0.80 PTGDR2 (0.47) PTGDR2MAPTTP53SMN1; SMN2LMNA
SCHEMBL11618315 0.78 PTGDR2 (0.48) PTGDR2MAPTTP53SMN1; SMN2LMNA
SCHEMBL11618423 0.76 PTGDR2 (0.44) PTGDR2MAPTTP53SMN1; SMN2LMNA
SCHEMBL11610569 0.76 PTGDR2 (0.47) PTGDR2TP53SMN1; SMN2MEN1KMT2A
SCHEMBL11507538 0.75 MAPT (0.39) PTGDR2MAPTTP53LMNAKMT2A
SCHEMBL11613326 0.74 GAA (0.43) PTGDR2MAPTTP53SMN1; SMN2LMNA
SCHEMBL11614629 0.74 KMT2A (0.43) PTGDR2TP53CCR2SMN1; SMN2LMNA
SCHEMBL28234911 0.74 MAPT (0.40) MAPTTP53SMN1; SMN2LMNAKMT2A

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
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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