SCHEMBL30723767

SCHEMBL30723767

O=C1c2ccc3c(c(F)nn3C3CCCCO3)c2CCCC1CC(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL24179522 1.00 RET (0.31) RETRXRARXRBRXRGCYP4F2
SCHEMBL24179437 0.82 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30724070 0.82 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917542 0.80 CYP4F2 (0.34) RETRXRARXRBRXRGCYP4F2
SCHEMBL25917442 0.78 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL25918027 0.78 CYP4F2 (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25918435 0.76 CYP4F2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917540 0.75 CYP4F2 (0.34) RETRXRARXRBRXRGCYP4F2
SCHEMBL30723786 0.73 KMO (0.31)
SCHEMBL30723757 0.73

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