SCHEMBL8516803

SCHEMBL8516803

CCCCCCCCCCCCCCCc1ccoc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.49
MCL1 Q07820 3/20 0.49
PPARA Q07869 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
KAT8 Q9H7Z6 2/20 0.49
PPARG P37231 2/20 0.49
SAE1 Q9UBE0 2/20 0.49
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
KAT5 Q92993 1/20 0.49
KMT2A Q03164 2/20 0.46
RARB P10826 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
TDP1 Q9NUW8 2/20 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
SCHEMBL28079688 1.00 BID (0.49) BIDMCL1PPARABCL2L1BAK1
SCHEMBL19951342 1.00 BID (0.49) BIDMCL1PPARABCL2L1BAK1
SCHEMBL4726562 1.00 BID (0.49) BIDMCL1PPARABCL2L1BAK1
SCHEMBL11575458 0.93 KMT2A (0.49) BIDMCL1PPARABCL2L1BAK1
SCHEMBL8578166 0.86 BID (0.41) BIDMCL1PPARABCL2L1BAK1
SCHEMBL28289831 0.86 KMT2A (0.51) KMT2AMAPTALDH1A1TDP1L3MBTL1
SCHEMBL6729337 0.83 KMT2A (0.46) BIDMCL1PPARABCL2L1BAK1
SCHEMBL898043 0.83 TDP1 (0.42) KMT2ARARBMEN1ALDH1A1TDP1
SCHEMBL11044495 0.82 KMT2A (0.62) MCL1KMT2AMAPTALDH1A1TDP1
SCHEMBL11525137 0.81 TDP1 (0.46) KMT2ARARBMEN1ALDH1A1RARA

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
JP-11029563-A None JP disclosed
JP-H1129563-A NEW SUBSTANCE OF HETEROMONOCYCLIC CARBOXYLIC ACID ESTERS, HAIR TONIC COMPOSITION USING THE SAME AND HAIR TONIC COMPOSITION CONTAINING ANALOGIC COMPOUNDS OF THE SAME MANDOM CORP 1999-02-02 JP disclosed