SCHEMBL11507252

SCHEMBL11507252

Cc1cc(OC(=O)CCCl)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A3 Q01959 3/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ GPR139 Q6DWJ6 2/20 0.35
▸ GCGR P47871 2/20 0.35
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34
▸ VIPR2 P41587 1/20 0.34
▸ GIPR P48546 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
SCHEMBL11509837 0.91 SLC6A3 (0.39) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11507580 0.91 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11510661 0.88 SLC6A3 (0.38) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11507289 0.86 KCNJ6 (0.36) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11507274 0.86 SLC6A3 (0.38) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11509784 0.86 PTGS1 (0.38) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11510252 0.84 SLC6A2 (0.38) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11509389 0.83 GPR139 (0.38) ALDH1A1LMNAHTTSMN1; SMN2GPR139
SCHEMBL11507530 0.83 PTGS1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11508636 0.83 GPR139 (0.38) ALDH1A1LMNAHTTSMN1; SMN2GPR139

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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