SCHEMBL27543262

SCHEMBL27543262

O=C(O)CCn1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 3/20 0.73
▸ FABP5 Q01469 3/20 0.73
▸ FABP3 P05413 1/20 0.73
▸ TSPO P30536 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ HPGD P15428 1/20 0.51
▸ APEX1 P27695 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PPARG P37231 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ FNTA P49354 1/20 0.48
▸ FNTB P49356 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48

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
SCHEMBL13403413 0.92 FABP4 (0.59) FABP4FABP5FABP3TSPOALDH1A1
SCHEMBL30549325 0.86 FABP4 (1.00) FABP4FABP5FABP3HDAC6ALDH1A1
SCHEMBL150033 0.86 FABP4 (1.00) FABP4FABP5FABP3HDAC6ALDH1A1
SCHEMBL27547403 0.85 KDM4E (0.72) FABP4FABP5FABP3TSPOKDM4E
SCHEMBL27763456 0.84 FABP4 (0.96) FABP4FABP5FABP3HDAC6ALDH1A1
SCHEMBL16156845 0.84 KDM4E (0.63) FABP4FABP5FABP3TSPOALDH1A1
SCHEMBL17482066 0.82 FABP4 (0.73) FABP4FABP5FABP3HDAC6ALDH1A1
SCHEMBL16156860 0.82 FABP4 (0.73) FABP4FABP5FABP3HDAC6ALDH1A1
SCHEMBL16156852 0.82 FABP4 (0.73) FABP4FABP5FABP3HDAC6ALDH1A1
SCHEMBL17955864 0.81 MAPT (0.58) FABP4FABP5FABP3TSPOHDAC6

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-1263092-A Carboxylic compound and its preparation method and application LANZHOU CHEM PHYS INST (CN) 2000-08-16 — — CN claimed
CN-1263092-A Carboxylic compound and its preparation method and application LANZHOU CHEM PHYS INST (CN) 2000-08-16 — — CN disclosed
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