SCHEMBL11615267

SCHEMBL11615267

CCC(=O)Oc1cc(C(C)C)nn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ TSHR P16473 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PTGDR2 Q9Y5Y4 9/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 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
SCHEMBL11613326 0.88 GAA (0.43) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL11614676 0.79 GAA (0.44) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL11616942 0.78 RAB9A (0.43) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL11511787 0.77 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL11614991 0.77 SMN1; SMN2 (0.42) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL11613372 0.76 RAB9A (0.44) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL11612976 0.76 RAB9A (0.44) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL11609351 0.76 PTGDR2 (0.44) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL20320378 0.74 HDAC3 (0.48) SMN1; SMN2LMNANPSR1ALOX15MAPT
SCHEMBL11614081 0.72 RAB9A (0.43) SMN1; SMN2TSHRALDH1A1LMNAHTT

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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