SCHEMBL23222467

SCHEMBL23222467

O=Nc1cc(OCCCCOc2ccc(C(=O)c3ccccc3)c(O)c2)ccc1C(=O)C1=CCCC=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43
HTT P42858 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4D Q08499 1/20 0.43
MAOB P27338 14/20 0.40
PPARD Q03181 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23222482 0.88 PPARD (0.36) MAOBPPARDGAA
SCHEMBL545524 0.78 HPGD (0.68) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL19199443 0.77 MAOB (0.46) HPGDMAOBPPARD
SCHEMBL551152 0.77 HPGD (0.66) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL25925342 0.75 HPGD (0.46) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL19823413 0.75 PTPN11 (0.53) LMNAMAPK1
SCHEMBL12743862 0.74 LMNA (0.69) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL29064887 0.73 HPGD (0.61) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL5847029 0.72 HPGD (0.59) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL30508492 0.72 HPGD (0.59) HPGDALDH1A1LMNACYP1A2PGR

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-3805286-A1 POLYMERIZABLE COMPOSITION AND OPTICAL MATERIAL PRODUCED THEREFROM SKC Co., Ltd. (KR) 2021-04-14 EP disclosed