SCHEMBL11509784

SCHEMBL11509784

CC(=O)Oc1cc(C)nn1C(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.38
▸ OGA O60502 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ GPR139 Q6DWJ6 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34

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
Oxirane SCHEMBL11510255 0.94 PTGS1 (0.37) PTGS1OGALMNAALDH1A1HTT
SCHEMBL11508518 0.91 GPR139 (0.37) OGASLC6A3SLC6A2SLC6A4GPR139
SCHEMBL11507274 0.88 SLC6A3 (0.38) PTGS1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL11507580 0.88 ALDH1A1 (0.43) PTGS1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL11510661 0.88 SLC6A3 (0.38) PTGS1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL11507530 0.87 PTGS1 (0.36) PTGS1OGALMNAALDH1A1HTT
SCHEMBL11507252 0.86 ALDH1A1 (0.39) PTGS1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL11509837 0.86 SLC6A3 (0.39) PTGS1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL11510178 0.86 GPR139 (0.37) PTGS1OGALMNAALDH1A1HTT
SCHEMBL11507289 0.86 KCNJ6 (0.36) PTGS1LMNAALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160098-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1979-07-03 — — US disclosed
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122279-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
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