SCHEMBL6883142

SCHEMBL6883142

Cc1cc2c(CCO)c(CCCCCO)[nH]c2cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DVL1 O14640 1/20 0.35
▸ DVL3 Q92997 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ SLC16A3 O15427 1/20 0.32
▸ LDHA P00338 1/20 0.32
▸ LDHB P07195 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MCL1 Q07820 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ PPARG P37231 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31

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 0.91 SIRT1 (0.44) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL28655045 0.91 SIRT1 (0.44) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL28659051 0.90 SIRT1 (0.43) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL28654122 0.90 SIRT1 (0.43) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL30282777 0.80 SIRT1 (0.42) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL28655392 0.80 SIRT1 (0.42) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL30282721 0.80 SIRT1 (0.42) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL30282855 0.79 SIRT1 (0.44) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL28649772 0.79 SIRT1 (0.44) MEN1KMT2AATML3MBTL1SIRT1
SCHEMBL30282731 0.79 MEN1 (0.50) DVL1DVL3MEN1KMT2AATM

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
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 — — EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 — — WO disclosed
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