SCHEMBL28649897

SCHEMBL28649897

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)c1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.61
▸ MAPT P10636 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ PMP22 Q01453 2/20 0.61
▸ MPO P05164 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ TACR1 P25103 2/20 0.56
▸ SIRT1 Q96EB6 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTR2A P28223 3/20 0.49
▸ HTR1A P08908 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ HTR7 P34969 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ ADRB1 P08588 1/20 0.49

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
SCHEMBL1358032 0.88 MAPT (0.58) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL289044 0.87 MAPT (0.74) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL475351 0.87 MAPT (0.74) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL21059260 0.85 MAPT (0.70) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL27744048 0.85 KMT2A (0.54) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL1640627 0.84 MAPT (0.68) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL17503190 0.84 MAPT (0.72) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL28780405 0.83 MAPT (0.72) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL626831 0.83 MAPT (0.72) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL23723484 0.83 MAPT (0.76) KMT2AMAPTMEN1KDM4ELMNA

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-113683552-B Tryptamine salicylic acid compound and preparation and application thereof 兰州大学 2024-03-19 — — CN disclosed
CN-113683552-A Tryptamine salicylic acid compound and preparation and application thereof 兰州大学 2021-11-23 — — CN disclosed
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