SCHEMBL30724102

SCHEMBL30724102

Fc1nn(C2CCCCO2)c2cccc(Br)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
PDE10A Q9Y233 1/20 0.36
RET P07949 2/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MAP3K5 Q99683 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.31
ESR1 P03372 1/20 0.31
MAPT P10636 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16634070 1.00 CYP4F2 (0.37) CYP4F2CYP4A11PDE10ARETALDH1A1
SCHEMBL30861031 0.85 GAA (0.44) CYP4F2CYP4A11PDE10ARETALDH1A1
SCHEMBL27227964 0.85 GAA (0.44) CYP4F2CYP4A11PDE10ARETALDH1A1
SCHEMBL15265438 0.85 CYP4F2 (0.37) CYP4F2CYP4A11PDE10ARETALDH1A1
SCHEMBL15266811 0.80 CYP4F2 (0.34) CYP4F2CYP4A11RETALDH1A1POLB
SCHEMBL25281611 0.79 CYP4F2 (0.33) CYP4F2CYP4A11RETALDH1A1POLB
SCHEMBL19485522 0.79 MAP3K5 (0.39) CYP4F2CYP4A11PDE10ARETALDH1A1
SCHEMBL29879089 0.79 MAP3K5 (0.39) CYP4F2CYP4A11PDE10ARETALDH1A1
SCHEMBL24268660 0.79 MAP3K5 (0.39) CYP4F2CYP4A11PDE10ARETALDH1A1
SCHEMBL15278583 0.78 CREBBP (0.35) CYP4F2CYP4A11MAP3K5

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-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed