SCHEMBL28156815

SCHEMBL28156815

COC(=O)c1cc2cc(C)cc(C)c2n1CC(O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 5/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ THRB P10828 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ P2RX3 P56373 1/20 0.33

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 0.81 MAPT (0.45) MAPTTSHRL3MBTL1TP53GAA
SCHEMBL28846115 0.75 MTNR1A (0.56) TSHRSMN1; SMN2MTNR1AMTNR1B
SCHEMBL28156812 0.75 LDHA (0.48) MAPTTSHRL3MBTL1THRBMTNR1A
SCHEMBL28156097 0.72 PTGS2 (0.47) L3MBTL1SMN1; SMN2GAANPSR1MTNR1A
SCHEMBL28156828 0.71 GPR35 (0.43) MAPTL3MBTL1TP53SMN1; SMN2THRB
SCHEMBL28156107 0.70 L3MBTL1 (0.44) L3MBTL1GAAMTNR1AMTNR1B
SCHEMBL6703975 0.68 ALDH1A1 (0.42) MAPTSMN1; SMN2GAANPSR1
SCHEMBL7681737 0.67 KDM4E (0.42) MAPTTSHRL3MBTL1SMN1; SMN2
SCHEMBL26581456 0.65 ALDH1A1 (0.40) —
SCHEMBL26036872 0.62 MCL1 (0.37) GAATHRBLMNA

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
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