SCHEMBL11509261

SCHEMBL11509261

Cc1cc(OC(=O)CC(C)C)n(C(C)c2ccc(F)c(F)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CACNA1G O43497 4/20 0.35
▸ CACNA1H O95180 4/20 0.35
▸ CACNA1I Q9P0X4 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OGA O60502 1/20 0.34
▸ PDE2A O00408 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE9A O76083 1/20 0.33

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
SCHEMBL11511066 0.78 PDPK1 (0.36) PDPK1CACNA1GCACNA1HCACNA1IMEN1
SCHEMBL11512100 0.78 KMT2A (0.44) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL11507439 0.78 KMT2A (0.44) LMNAMEN1KMT2AHTTGAA
SCHEMBL11731962 0.78 PDPK1 (0.35) PDPK1
SCHEMBL11460781 0.78 MEN1 (0.46) PDPK1LMNACACNA1GCACNA1HCACNA1I
SCHEMBL11509278 0.77 GPR139 (0.36) PDPK1KMT2AMAPT
SCHEMBL11616388 0.77 KCNJ6 (0.42) CACNA1GCACNA1HCACNA1IKMT2AALOX15
SCHEMBL11509389 0.74 GPR139 (0.38) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL11509314 0.74 KCNK3 (0.40) HTTMAPTALDH1A1
SCHEMBL11510661 0.73 SLC6A3 (0.38) LMNAHTTSMN1; SMN2MAPTALDH1A1

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 6 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-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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