SCHEMBL11506982

SCHEMBL11506982

Cc1cc(OC(=O)C(F)(F)F)n(C(C)c2ccc(F)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ SLC2A4 P14672 1/20 0.37
▸ KCNK3 O14649 4/20 0.36
▸ NR3C1 P04150 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ FPR1 P21462 2/20 0.33
▸ CLK1 P49759 4/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ PDE10A Q9Y233 2/20 0.32

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
SCHEMBL11506946 0.89 PDE2A (0.42) —
SCHEMBL11509314 0.86 KCNK3 (0.40) SLC2A1SLC2A2SLC2A3SLC2A4KCNK3
SCHEMBL11509317 0.85 EGLN1 (0.36) ALDH1A1HTT
SCHEMBL11509157 0.84 LMNA (0.40) KCNK3ALDH1A1MAPTCLK1
SCHEMBL11507511 0.84 GPR139 (0.35) —
SCHEMBL11508687 0.77 KDM5A (0.37) KCNK3CLK1DYRK1A
SCHEMBL11612817 0.77 HSD17B10 (0.38) ALDH1A1MAPTHTTP2RY1
SCHEMBL11508068 0.74 AKR1C3 (0.40) KCNK3ALDH1A1CLK1DYRK1A
SCHEMBL11507530 0.74 PTGS1 (0.36) ALDH1A1HTT
SCHEMBL11509147 0.73 GPR139 (0.36) ALDH1A1MAPT

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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