SCHEMBL8847204

SCHEMBL8847204

CC(O)(C#Cc1ccc(C(=O)c2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 8/20 0.50
▸ ABCC8 Q09428 8/20 0.50
▸ KCNJ11 Q14654 8/20 0.50
▸ KCNJ8 Q15842 8/20 0.50
▸ PDK1 Q15118 5/20 0.50
▸ PDK2 Q15119 5/20 0.50
▸ PDK3 Q15120 5/20 0.50
▸ PDK4 Q16654 5/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ELANE P08246 2/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ RARB P10826 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL739253 0.84 HTT (0.52) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL9794436 0.84 MAPT (0.50) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8847220 0.83 KMT2A (0.50) ALDH1A1HTTNPC1RAB9A
SCHEMBL8846776 0.78 HSD11B1 (0.57) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1744898 0.74 ALDH1A1 (0.64) ALDH1A1SRD5A2NPC1HPGDRAB9A
SCHEMBL10411918 0.73 ALDH1A1 (0.61) ALDH1A1ELANESRD5A2NPC1HPGD
Benzophenone SCHEMBL28321860 0.72 ALDH1A1 (0.74) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL16582661 0.72 ALDH1A1 (0.61) ALDH1A1ELANESRD5A2NPC1HPGD
SCHEMBL8525296 0.72 NR1H2 (0.64) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1637026 0.71 L3MBTL1 (0.52) PDK1PDK2PDK3PDK4ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641302-B1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LTD (GB) 1997-12-10 — — EP disclosed
US-5411973-A Potassium channel openers, urinary incontinence ZENECA LIMITED (GB) 1995-05-02 — — US disclosed
EP-0641302-A1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-03-08 — — EP disclosed
WO-1993023358-A1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1993-11-25 — — WO disclosed
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