SCHEMBL11507289

SCHEMBL11507289

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ VDR P11473 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ GCGR P47871 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TNF P01375 2/20 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
SCHEMBL11508498 0.92 HPGD (0.40) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11510252 0.89 SLC6A2 (0.38) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11510661 0.88 SLC6A3 (0.38) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11507580 0.88 ALDH1A1 (0.43) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11509837 0.86 SLC6A3 (0.39) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11507252 0.86 ALDH1A1 (0.39) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11507274 0.86 SLC6A3 (0.38) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11509784 0.86 PTGS1 (0.38) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11507530 0.83 PTGS1 (0.36) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11509317 0.82 EGLN1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3

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-4122280-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-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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