SCHEMBL30724088

SCHEMBL30724088

O=C1c2cc(F)c3c(cnn3C3CCCCO3)c2CCCC1CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP11B1 P15538 5/20 0.31
CYP11B2 P19099 5/20 0.31
PDE9A O76083 1/20 0.31
RET P07949 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
SCHEMBL24179437 0.83 RXRA (0.38) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30724070 0.83 RXRA (0.38) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL24179522 0.72 RET (0.31) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24179481 0.72 RXRA (0.38) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30723767 0.72 RET (0.31) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30724054 0.72 CYP11B1 (0.34) CYP11B1CYP11B2PDE9A
SCHEMBL31178788 0.70 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL24004995 0.70 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL31128159 0.70 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL28673628 0.70 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1LMNAPOLB

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