SCHEMBL28156097

SCHEMBL28156097

CCc1ccc2c(c1)cc(C(=O)OC)n2CC(O)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.47
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CCR2 P41597 1/20 0.38

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
SCHEMBL28156085 0.86 MAPT (0.45) PTGS2MTNR1AMTNR1BL3MBTL1GAA
SCHEMBL28846115 0.84 MTNR1A (0.56) MTNR1AMTNR1BKMT2AF10NOD2
SCHEMBL28156812 0.82 LDHA (0.48) PTGS2MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL28156107 0.82 L3MBTL1 (0.44) PTGS2MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL28156828 0.77 GPR35 (0.43) KMT2AL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL28156816 0.76 NTRK1 (0.49) PTGS2L3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL28156815 0.72 MAPT (0.40) MTNR1AMTNR1BL3MBTL1GAANPSR1
SCHEMBL6742117 0.71 GAA (0.51) GAACCR2
SCHEMBL6741019 0.70 MEN1 (0.47) KMT2AGAAF10NOD2NOD1
SCHEMBL28156842 0.68 NOD2 (0.51) MTNR1AMTNR1BKMT2AF10NOD2

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-106831533-A A kind of synthetic method of tryptophol and tryptamines analog derivative 北京大学 2017-06-13 — — CN disclosed
Send feedback