SCHEMBL31055907

SCHEMBL31055907

COC(=O)c1cc(Br)c(OCc2ccccc2)c(C2OCCO2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 2/20 0.44
THRA P10827 1/20 0.44
KDM4E B2RXH2 2/20 0.41
DHODH Q02127 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
GLRA1 P23415 1/20 0.39
FAAH O00519 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL31056582 0.87 LMNA (0.56) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL31056523 0.84 HPGD (0.53) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21408252 0.83 LMNA (0.74) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL31056223 0.83 LMNA (0.52) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL31056267 0.82 LMNA (0.50) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL31056024 0.82 LMNA (0.50) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL31056108 0.81 HPGD (0.50) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL31056402 0.79 LMNA (0.43) LMNAHPGDMEN1KMT2AALDH1A1
SCHEMBL1302541 0.78 HPGD (0.62) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL31056278 0.78 MRGPRX4 (0.47) LMNAHPGDSMN1; SMN2MEN1KMT2A

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