SCHEMBL27514701

SCHEMBL27514701

CC(CCCCCc1ccncc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.53
TBXAS1 P24557 2/20 0.49
HRH1 P35367 2/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CYP19A1 P11511 1/20 0.41
NAAA Q02083 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
LTA4H P09960 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL9079346 0.93 LTB4R (0.46) LTB4RTBXAS1HRH1LMNAMAPT
SCHEMBL27498072 0.86 TSHR (0.49) TBXAS1LMNAMAPTMAPK1ALDH1A1
SCHEMBL17027841 0.85 LTB4R (0.68) LTB4RLMNAMAPTALDH1A1TRPA1
SCHEMBL6971015 0.85 LTB4R (0.68) LTB4RLMNAMAPTALDH1A1TRPA1
SCHEMBL17027837 0.85 LTB4R (0.68) LTB4RLMNAMAPTALDH1A1TRPA1
SCHEMBL6344592 0.85 LTB4R (0.68) LTB4RLMNAMAPTALDH1A1TRPA1
SCHEMBL7385392 0.83 LTB4R (0.66) LTB4RLMNAMAPTMAPK1ALDH1A1
SCHEMBL27534729 0.82 TBXAS1 (0.62) LTB4RTBXAS1HRH1
SCHEMBL27255501 0.81 HRH1 (0.51) HRH1
SCHEMBL5067240 0.81 LTB4R (0.53) LTB4RALDH1A1ACE2LTA4HTRPA1

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
CN-1224624-C 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2005-10-26 CN disclosed
CN-1407984-A Novel 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2003-04-02 CN disclosed