SCHEMBL9192542

SCHEMBL9192542

CCCCCCCc1ccccc1NC(C)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9184469 0.89 LIPG (0.46) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL25786683 0.89 LIPG (0.46) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL9350709 0.87 LIPG (0.50) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL25031389 0.85 LIPG (0.47) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL9187793 0.84 LIPG (0.40) LIPGCYP3A4L3MBTL1CYSLTR2CYSLTR1
SCHEMBL9418574 0.79 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL6859975 0.79 L3MBTL1 (0.48) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL10869653 0.79 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL14785526 0.79 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL1567827 0.79 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1

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-0667887-A1 DYES ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1994010248-A1 DYES ZENECA LIMITED (GB) 1994-05-11 WO disclosed