SCHEMBL28690283

SCHEMBL28690283

CC(C)C(C(C)C)C(c1ccccc1)c1ccc(O)c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
CYP2D6 P10635 1/20 0.42
PTPN5 P54829 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRA P19793 1/20 0.39
NR4A2 P43354 1/20 0.39
PELI1 Q96FA3 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FABP2 P12104 1/20 0.37
TSHR P16473 1/20 0.37
AKR1C4 P17516 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL1596833 0.83 BACE1 (0.60) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL21612700 0.80 BACE1 (0.52) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL1176815 0.80 BACE1 (0.56) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL4282140 0.80 PTPN5 (0.57) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL7916586 0.76 BACE1 (0.56) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL27885449 0.76 BACE1 (0.56) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL6295137 0.76 BACE1 (0.50) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL1595103 0.74 BACE1 (0.58) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL11552886 0.74 BACE1 (0.58) BACE1CYP2D6PTPN5HPGDALDH1A1
SCHEMBL17070149 0.74 ALDH1A1 (0.56) BACE1CYP2D6PTPN5HPGDALDH1A1

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
CN-110461898-B Dual cure process using thermally latent tin catalysts 科思创德国股份有限公司 2022-04-01 CN disclosed
CN-110023348-B Method for producing an object from a precursor and use of a radically crosslinkable resin in an additive manufacturing process 科思创德国股份有限公司 2021-12-28 CN disclosed