SCHEMBL25012121

SCHEMBL25012121

O=C1c2ccccc2C(c2ccc(SCCO)cc2)(c2ccc(SCCO)cc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
S100A4 P26447 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 3/20 0.50
CDC25A P30304 2/20 0.50
CDC25B P30305 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
APAF1 O14727 1/20 0.50

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
SCHEMBL30219249 1.00 MEN1 (0.50) MEN1KMT2AS100A4SMN1; SMN2CYP1A2
SCHEMBL28638287 0.91 MEN1 (0.50) MEN1KMT2AS100A4SMN1; SMN2CYP1A2
SCHEMBL28925160 0.79 ESR1 (0.43) MEN1KMT2AS100A4SMN1; SMN2CYP1A2
SCHEMBL30219260 0.79 ESR1 (0.43) MEN1KMT2AS100A4SMN1; SMN2CYP1A2
SCHEMBL31513318 0.78 MEN1 (0.43) MEN1KMT2AS100A4SMN1; SMN2CYP1A2
SCHEMBL21858091 0.78 MEN1 (0.43) MEN1KMT2AS100A4SMN1; SMN2CYP1A2
SCHEMBL29609414 0.78 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL649568 0.75 MEN1 (0.54) MEN1KMT2ASMN1; SMN2CYP1A2CDC25B
SCHEMBL30289963 0.75 MEN1 (0.54) MEN1KMT2ASMN1; SMN2CYP1A2CDC25B
SCHEMBL1197875 0.74 NPC1 (0.61) MEN1KMT2AS100A4SMN1; SMN2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011307-A1 POLYCARBONATE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国科学院过程工程研究所 2023-02-09 WO disclosed
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