SCHEMBL18543774

SCHEMBL18543774

CCCCCCCCCCCCCCCCCCc1cc2cc(C(=O)O)ccc2c(CCCCCCCCCCCCCCCCCC)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.49
BID P55957 3/20 0.46
MCL1 Q07820 3/20 0.46
BCL2L1 Q07817 2/20 0.46
BAK1 Q16611 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL28496833 1.00 RARB (0.49) RARBBIDMCL1BCL2L1BAK1
SCHEMBL6651854 0.95 RARB (0.42) RARBBIDMCL1BCL2L1BAK1
SCHEMBL6651804 0.87 PTPN1 (0.44) PPARGMEN1KMT2A
SCHEMBL1336380 0.81 PTPN1 (0.41)
SCHEMBL5171604 0.79 RAB9A (0.43) MEN1ALDH1A1MAPTKMT2A
SCHEMBL7093595 0.79 RARB (0.50) RARBKAT8PPARAPPARGMEN1
SCHEMBL29670029 0.78 RARB (0.50) RARBBIDMCL1BCL2L1BAK1
SCHEMBL290671 0.78 RARB (0.50) RARBBIDMCL1BCL2L1BAK1
SCHEMBL28732135 0.76 PTPN1 (0.53) RARBBIDMCL1BCL2L1BAK1
SCHEMBL3031764 0.76 ALDH1A1 (0.46) RARBALDH1A1MAPTTP53TSHR

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
EP-2004302-B1 ELECTRETS AND COMPOUNDS USEFUL IN ELECTRETS 3M INNOVATIVE PROPERTIES CO (US) 2017-03-01 EP claimed