SCHEMBL9540374

SCHEMBL9540374

CC(OCCO[C]=O)c1ccc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 2/20 0.38
S1PR3 Q99500 1/20 0.35
HPGD P15428 2/20 0.35
PRNP P04156 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCF1 P14598 2/20 0.33
TLR8 Q9NR97 1/20 0.32
LTB4R Q15722 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL31373859 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1A2KMT2ATP53
SCHEMBL96855 0.76 SCN1A (0.40) ALDH1A1CYP1A2KDM4ELMNAHTT
SCHEMBL4300128 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP1A2HPGDPRNP
SCHEMBL28308791 0.72 CYP1A2 (0.45) ALDH1A1HSD17B10CYP1A2S1PR3HPGD
SCHEMBL31373891 0.72 CYP1A2 (0.45) ALDH1A1HSD17B10CYP1A2S1PR3HPGD
SCHEMBL8764370 0.70 CYSLTR1 (0.46) CYP1A2
SCHEMBL9323970 0.69 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1A2S1PR3HPGD
SCHEMBL1261380 0.68 CYP1A2 (0.48) ALDH1A1HSD17B10CYP1A2S1PR3HPGD
SCHEMBL827081 0.68 CYP1A2 (0.52) ALDH1A1HSD17B10CYP1A2S1PR3HPGD
SCHEMBL404595 0.67 NCF1 (0.42) ALDH1A1HSD17B10CYP1A2S1PR3HPGD

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
WO-1993002639-A1 INJECTABLE COLLAGEN-BASED COMPOSITIONS FOR MAKING INTRAOCULAR LENS AUTOGENESIS TECHNOLOGIES, INC. (US) 1993-02-18 WO disclosed