SCHEMBL29285233

SCHEMBL29285233

O=C(O)CC(CC(=O)O)c1cccc(OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.46
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV3 Q8NET8 1/20 0.43
LTA4H P09960 2/20 0.40
PKM P14618 1/20 0.40
MMP12 P39900 1/20 0.40
ALKBH1 Q13686 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGER1 P34995 1/20 0.39
NR4A2 P43354 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL31439858 0.79 CTSA (0.47) FFAR1PKM
SCHEMBL31038549 0.79 PDE5A (0.43) FFAR1TRPV3LTA4HPTGESALOX5
SCHEMBL2524154 0.78 L3MBTL1 (0.52) SMN1; SMN2TRPV3PKMALOX5GRM5
SCHEMBL20085570 0.77 TRPV3 (0.51) TRPV3PKMALOX5
SCHEMBL23834867 0.77 LMNA (0.49) FFAR1KMT2ASMN1; SMN2TRPV3PKM
SCHEMBL29920882 0.77 LMNA (0.49) FFAR1KMT2ASMN1; SMN2TRPV3PKM
SCHEMBL3924169 0.77 TRPV3 (0.45) FFAR1KMT2ASMN1; SMN2TRPV3GRM5
SCHEMBL28408442 0.75 TRPV3 (0.49) TRPV3LTA4HPKMGRM5
SCHEMBL8623878 0.74 PTGER1 (0.62) KMT2ATRPV3ALKBH1PTGER1NR4A2
SCHEMBL25226481 0.72 TRPV3 (0.44) FFAR1TRPV3LTA4HFFAR4

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
CN-118271299-A Lactam compound, and preparation method and application thereof 广州市联瑞制药有限公司 2024-07-02 CN disclosed