SCHEMBL10695747

SCHEMBL10695747

Cc1c(OCc2ccc3ccccc3n2)cccc1C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL9636913 0.87 CYSLTR1 (0.58) CYSLTR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL10695692 0.82 CYSLTR1 (0.49) CYSLTR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL10696449 0.82 CYSLTR1 (0.48) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7710953 0.80 CYSLTR1 (0.53) CYSLTR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL9582305 0.79 CYSLTR1 (0.61) CYSLTR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL7452392 0.79 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8834234 0.79 GPBAR1 (0.57) CYSLTR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL10694503 0.78 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9582699 0.77 GPBAR1 (0.63) CYSLTR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL10663946 0.77 CYSLTR1 (0.57) CYSLTR1KDM4EMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769461-A Quinolinyl benzene hydroxamic acids as anti-inflammatory/antiallergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-06 US claimed