SCHEMBL28655045

SCHEMBL28655045

CCCCCc1[nH]c2cc(C(=O)O)c(C)cc2c1CCO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.44
▸ RARB P10826 3/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ OXER1 Q8TDS5 1/20 0.37
▸ PLK1 P53350 7/20 0.36
▸ PLK3 Q9H4B4 2/20 0.36
▸ KAT8 Q9H7Z6 2/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ LDHB P07195 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARG P13631 1/20 0.36

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
SCHEMBL30282651 1.00 SIRT1 (0.44) SIRT1RARBMEN1KMT2AATM
SCHEMBL28659051 0.99 SIRT1 (0.43) SIRT1RARBMEN1KMT2AATM
SCHEMBL28654122 0.99 SIRT1 (0.43) SIRT1RARBMEN1KMT2AATM
SCHEMBL6883142 0.91 DVL1 (0.35) SIRT1RARBMEN1KMT2AATM
SCHEMBL30282777 0.88 SIRT1 (0.42) SIRT1RARBMEN1KMT2AATM
SCHEMBL30282721 0.88 SIRT1 (0.42) SIRT1RARBMEN1KMT2AATM
SCHEMBL28655392 0.88 SIRT1 (0.42) SIRT1RARBMEN1KMT2AATM
SCHEMBL28649772 0.88 SIRT1 (0.44) SIRT1RARBMEN1KMT2AATM
SCHEMBL30282855 0.88 SIRT1 (0.44) SIRT1RARBMEN1KMT2AATM
SCHEMBL30282731 0.87 MEN1 (0.50) SIRT1MEN1KMT2AATML3MBTL1

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-113717091-B Indole derivatives and preparation method and application thereof 南京医科大学 2023-03-10 — — CN disclosed
CN-113717091-A Indole derivatives and preparation method and application thereof 南京医科大学 2021-11-30 — — CN disclosed
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