SCHEMBL28638287

SCHEMBL28638287

OCCSc1ccc(C2(c3ccc(SCCO)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
OPRK1 P41145 1/20 0.50
S100A4 P26447 3/20 0.43
CDC25A P30304 3/20 0.43
CDC25B P30305 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CDC25C P30307 2/20 0.43
APAF1 O14727 1/20 0.43
MAP2K7 O14733 1/20 0.43
GMNN O75496 1/20 0.43
TDP2 O95551 1/20 0.43
PLA2G1B P04054 1/20 0.43

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
SCHEMBL25012121 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL30219249 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL30219260 0.88 ESR1 (0.43) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL28925160 0.88 ESR1 (0.43) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL25488546 0.82 PDK2 (0.43) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL25013641 0.76 MEN1 (0.47) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29690347 0.75 MEN1 (0.53) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL868671 0.75 MEN1 (0.53) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL194556 0.75 PDK2 (0.54) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4818953 0.75 MEN1 (0.49) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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-113480722-B Polycarbonate and preparation method and application thereof 中国科学院过程工程研究所 2022-11-22 CN disclosed
CN-113480722-A Polycarbonate and preparation method and application thereof 中国科学院过程工程研究所 2021-10-08 CN disclosed