SCHEMBL18324322

SCHEMBL18324322

CCCCn1c(C(=O)O)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
RECQL P46063 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.62
KDM4E B2RXH2 4/20 0.61
TSHR P16473 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MEN1 O00255 1/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TLR8 Q9NR97 1/20 0.60
HTT P42858 2/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
POLB P06746 1/20 0.58
GAA P10253 1/20 0.57
CYP1A2 P05177 1/20 0.56

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
SCHEMBL28283760 0.96 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2RECQLL3MBTL1KDM4E
SCHEMBL28377075 0.87 TLR8 (0.62) ALDH1A1SMN1; SMN2RECQLL3MBTL1KDM4E
SCHEMBL14648254 0.87 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RECQLL3MBTL1KDM4E
SCHEMBL3619365 0.84 MAPK1 (0.61) ALDH1A1SMN1; SMN2RECQLL3MBTL1KDM4E
SCHEMBL27847996 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2RECQLL3MBTL1KDM4E
SCHEMBL28378028 0.83 TLR8 (0.63) ALDH1A1SMN1; SMN2RECQLL3MBTL1KDM4E
SCHEMBL28372897 0.82 TLR8 (0.64) ALDH1A1SMN1; SMN2RECQLTSHRNPSR1
SCHEMBL28373626 0.82 TLR8 (0.64) ALDH1A1SMN1; SMN2RECQLTSHRNPSR1
SCHEMBL28378368 0.82 TLR8 (0.64) ALDH1A1SMN1; SMN2RECQLTSHRNPSR1
SCHEMBL30497266 0.81 HPGD (0.62) ALDH1A1SMN1; SMN2RECQLKDM4ETSHR

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
EP-2327735-B1 METHOD FOR PREPARING POLYLACTIC ACID AND PRODUCTS THEREOF USING A TWIN-SCREW EXTRUDER NANJING UNIV OF TECH (CN) 2016-12-21 EP disclosed