SCHEMBL25367674

SCHEMBL25367674

C=CC(=O)Oc1ccccc1C(C)(C)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.51
THRA P10827 1/20 0.51
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LIG1 P18858 1/20 0.36
BCHE P06276 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TYMS P04818 1/20 0.35
ELANE P08246 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL28542859 0.87 THRB (0.45) THRBTHRAATMTDP1ALDH1A1
SCHEMBL30438185 0.84 TDP1 (0.58) THRBTHRAATMTDP1BCHE
SCHEMBL1833758 0.84 THRB (0.49) THRBTHRAATMTDP1LIG1
SCHEMBL34006 0.84 TDP1 (0.58) THRBTHRAATMTDP1BCHE
SCHEMBL7592775 0.83 THRB (0.47) THRBTHRAATMTDP1BCHE
SCHEMBL7650973 0.82 ATM (0.44) ATMTDP1BCHEKDM4EHPGD
SCHEMBL11798569 0.81 ALDH1A1 (0.40) THRBTHRAHSD17B10ALDH1A1MEN1
SCHEMBL1508563 0.81 MAPK1 (0.55) THRBTHRAATMMAPTALDH1A1
SCHEMBL1788419 0.81 PTGS2 (0.47) ATMTDP1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL17698428 0.80 THRB (0.46) THRBTHRAATMTDP1BCHE

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
WO-2023157793-A1 THERMOPLASTIC RESIN COMPOSITION, MOLDING MATERIAL AND MOLDED BODY 三菱ケミカル株式会社 2023-08-24 WO disclosed