SCHEMBL30724113

SCHEMBL30724113

CCOC(=O)C(C/C=C\c1ccc(F)c2c1cnn2C1CCCCO1)CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ PDE4B Q07343 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL31093704 0.73 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31093706 0.73 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31093707 0.73 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30724048 0.73 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25918087 0.72 MAPK8 (0.36) CYP4F2CYP4A11PDE4BRXRARXRB
SCHEMBL30724046 0.72 RXRA (0.35) CYP4F2CYP4A11PDE4BRXRARXRB
SCHEMBL25918141 0.72 RXRA (0.35) CYP4F2CYP4A11PDE4BRXRARXRB
SCHEMBL31015503 0.69 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL27227973 0.68 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20324226 0.68 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG

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
Send feedback