SCHEMBL11507580

SCHEMBL11507580

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS1 P23219 1/20 0.37
▸ SLC6A3 Q01959 4/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ GPR139 Q6DWJ6 2/20 0.36
▸ GCGR P47871 2/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.35
▸ VIPR2 P41587 1/20 0.35
▸ GIPR P48546 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL11509389 0.92 GPR139 (0.38) ALDH1A1LMNAHTTSMN1; SMN2GPR139
SCHEMBL11508636 0.92 GPR139 (0.38) ALDH1A1LMNAHTTSMN1; SMN2GPR139
SCHEMBL11507252 0.91 ALDH1A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11510661 0.91 SLC6A3 (0.38) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11509837 0.88 SLC6A3 (0.39) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11507289 0.88 KCNJ6 (0.36) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11507274 0.88 SLC6A3 (0.38) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11509784 0.88 PTGS1 (0.38) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11510252 0.86 SLC6A2 (0.38) ALDH1A1LMNAHTTSMN1; SMN2PTGS1
SCHEMBL11507530 0.85 PTGS1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2PTGS1

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
Send feedback