SCHEMBL4565768

SCHEMBL4565768

NC(=O)Oc1ccccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SLC9A1 P19634 1/20 0.43
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ KMO O15229 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ MAOB P27338 2/20 0.38
▸ HSD11B1 P28845 1/20 0.38

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
SCHEMBL27663235 0.88 MPL (0.43) AKR1C3AKR1C2ALDH1A1HPGDSLC9A1
SCHEMBL17593430 0.86 RXRA (0.50) RXRARXRBRXRGLMNAMRGPRX4
SCHEMBL29728528 0.84 KMT2A (0.46) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL20573267 0.77 PARP10 (0.44) ALDH1A1SLC9A1SMN1; SMN2KDM4EPARP1
SCHEMBL27897141 0.77 RORB (0.45) KDM4EPPARGSCN9A
SCHEMBL28232104 0.77 AR (0.48) KIF11SCN9A
SCHEMBL17797000 0.75 ALDH1A1 (0.50) ALDH1A1HPGDSLC9A1SMN1; SMN2KDM4E
SCHEMBL20573424 0.75 FABP7 (0.51) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL4083577 0.75 CA12 (0.50) AKR1C3AKR1C2ALDH1A1HPGDSLC9A1
SCHEMBL30615207 0.75 FABP7 (0.51) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711183-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 — — EP disclosed
EP-1711183-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-18 — — EP disclosed
WO-2005067537-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-28 — — WO disclosed
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