SCHEMBL6564091

SCHEMBL6564091

CCCCCCCCOc1cccc2cc(OCc3ccccc3)c(C(C)=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
TLR8 Q9NR97 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL6567309 0.84 MRGPRX4 (0.50) MRGPRX4HDAC6HDAC1HDAC8MEN1
SCHEMBL6567192 0.82 MCHR1 (0.53) MCHR1TLR8HDAC6MEN1NR1I2
SCHEMBL6564087 0.80 PLA2G2D (0.49) HDAC8MEN1KMT2APTPN11
SCHEMBL8751228 0.78 ALDH1A1 (0.41) MRGPRX4HDAC6HDAC3HDAC4HDAC1
SCHEMBL6564103 0.78 MAOB (0.48) MRGPRX4HDAC8MEN1MAPTKMT2A
SCHEMBL6565264 0.77 MCHR1 (0.51) MCHR1TLR8MEN1KMT2ACNR1
SCHEMBL8629057 0.76 MEN1 (0.52) PPARGPPARAHDAC8MEN1KMT2A
SCHEMBL8751130 0.75 KDM4E (0.37) MRGPRX4HDAC6HDAC3HDAC4HDAC1
SCHEMBL6565684 0.75 SMN1; SMN2 (0.63) MRGPRX4MEN1LMNAMAPTKMT2A
SCHEMBL6567160 0.75 MAOB (0.47) PPARGPPARAMRGPRX4MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed