SCHEMBL31056705

SCHEMBL31056705

C[Si](C)(C)C#Cc1cc(OCc2ccccc2)c(C2OCCO2)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.40
FOLH1 Q04609 1/20 0.40
MCL1 Q07820 2/20 0.39
DHODH Q02127 2/20 0.38
EDNRA P25101 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
XDH P47989 2/20 0.37
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 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
SCHEMBL31056276 0.84 HTR2C (0.40) L3MBTL1
SCHEMBL31056825 0.81 MCL1 (0.47) PTGER1FOLH1MCL1DHODHEDNRA
SCHEMBL26132995 0.79 MAPT (0.42) EDNRAL3MBTL1
SCHEMBL31056045 0.79 PTGER1 (0.50) PTGER1FOLH1MCL1KDM4EALDH1A1
SCHEMBL31056459 0.79 FOLH1 (0.45) PTGER1FOLH1MCL1KDM4EALDH1A1
SCHEMBL31056217 0.79 FOLH1 (0.48) PTGER1FOLH1MCL1KDM4EALDH1A1
SCHEMBL31056247 0.76 FOLH1 (0.43) PTGER1FOLH1MCL1KDM4EALDH1A1
SCHEMBL31056024 0.76 LMNA (0.50) ALDH1A1MRGPRX4
SCHEMBL6580918 0.75 MAP4K4 (0.52) PTGER1MRGPRX4XDH
Lithium Ion SCHEMBL31056412 0.75 RXRA (0.42) PTGER1MCL1ALDH1A1L3MBTL1

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed