SCHEMBL26324280

SCHEMBL26324280

COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)Nc1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
RECQL P46063 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HTT P42858 3/20 0.53
TSHR P16473 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
PKM P14618 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL26325651 0.85 MAPK14 (0.59) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL22431610 0.83 KMT2A (0.64) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL9504944 0.82 HTT (0.56) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL16106825 0.82 HTT (0.61) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL22431603 0.81 NPC1 (0.72) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL903579 0.80 MAPK14 (0.62) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL13947606 0.79 HTT (0.61) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL21568082 0.78 HTT (0.51) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL1905020 0.78 MAPK14 (0.67) MAPK14MEN1KMT2AALDH1A1MAPT
SCHEMBL1600116 0.76 MAPK14 (0.70) MAPK14MEN1KMT2AALDH1A1MAPT

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-3997165-B1 STABILIZER COMPOSITION FOR SILYL-MODIFIED POLYMER SEALANTS CLARIANT INT LTD (CH) 2023-09-06 EP disclosed