SCHEMBL31540183

SCHEMBL31540183

Oc1ccc(C2(c3ccc(O)cc3)CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.64
ESR1 P03372 7/20 0.64
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
GMNN O75496 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
TYR P14679 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL1257287 0.92 ESR2 (0.55) ESR2ESR1ALDH1A1MEN1LMNA
SCHEMBL31540169 0.90 ESR2 (0.53) ESR2ESR1ALDH1A1MAPTALOX15
SCHEMBL31540199 0.83 CPT1B (0.56) ESR2ESR1LMNAMAPTNPC1
SCHEMBL7530533 0.83 ESR2 (0.80) ESR2ESR1ALDH1A1MEN1LMNA
SCHEMBL3811364 0.83 ESR2 (0.80) ESR2ESR1ALDH1A1MEN1LMNA
SCHEMBL19615271 0.80 ESR2 (0.45) ESR2ESR1ALDH1A1MEN1LMNA
SCHEMBL14315747 0.78 ESR2 (0.43) ESR2ESR1
SCHEMBL120895 0.78 ESR2 (1.00) ESR2ESR1ALDH1A1MEN1LMNA
SCHEMBL8411084 0.78 ESR2 (0.90) ESR2ESR1ALDH1A1MEN1LMNA
SCHEMBL870311 0.78 ESR2 (0.90) ESR2ESR1ALDH1A1MEN1LMNA

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
CN-119684303-A Heterocyclic compound of difunctional degradable androgen receptor and application thereof 上海超阳药业有限公司 2025-03-25 CN disclosed