SCHEMBL30219260

SCHEMBL30219260

OCCSc1ccc2cc(C3(c4ccc5cc(SCCO)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
OPRK1 P41145 1/20 0.42
S100A4 P26447 3/20 0.37
CDC25A P30304 2/20 0.37
CDC25B P30305 2/20 0.37
APAF1 O14727 1/20 0.37
MAP2K7 O14733 1/20 0.37
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37
TDP2 O95551 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLA2G1B P04054 1/20 0.37
TP53 P04637 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
SCHEMBL28925160 1.00 ESR1 (0.43) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL28638287 0.88 MEN1 (0.50) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL30219232 0.85 BACE1 (0.32) BACE1ANPEPCA12CA1CA2
SCHEMBL25012958 0.85 BACE1 (0.32) BACE1ANPEPCA12CA1CA2
SCHEMBL30219249 0.79 MEN1 (0.50) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL25012121 0.79 MEN1 (0.50) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL29349660 0.77 PDK2 (0.54) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL16894068 0.77 PDK2 (0.54) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL31443094 0.77 PDK2 (0.54) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL21858067 0.77 PDK2 (0.50) ESR1ESR2MEN1KMT2AKDM4E

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
US-20240301135-A1 POLYCARBONATE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2024-09-12 US 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