SCHEMBL31243076

SCHEMBL31243076

Cc1cc2c(c(C)nn2C2CCCCO2)c(Br)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
RET P07949 4/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL29937112 0.89 CYP4F2 (0.34) GAACYP4F2CYP4A11RETATR
SCHEMBL30699417 0.86 RET (0.33) CYP4F2CYP4A11RETATR
SCHEMBL30998808 0.85 GAA (0.40) GAACYP4F2CYP4A11RETKDM4E
SCHEMBL24802948 0.83 GAA (0.39) GAACYP4F2CYP4A11RETKDM4E
SCHEMBL20974775 0.81 CYP4F2 (0.40) CYP4F2CYP4A11RETALDH1A1ATR
SCHEMBL29478900 0.79 GAA (0.41) GAACYP4F2CYP4A11RETKDM4E
SCHEMBL24373243 0.79 GAA (0.41) GAACYP4F2CYP4A11RETKDM4E
SCHEMBL26404734 0.78 GAA (0.39) GAACYP4F2CYP4A11RETKDM4E
SCHEMBL29937275 0.78 GAA (0.39) GAACYP4F2CYP4A11RETKDM4E
SCHEMBL30161900 0.78 CYP4F2 (0.41) GAACYP4F2CYP4A11RETKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713330-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED Limited (CN) 2026-03-25 EP disclosed
WO-2024235286-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED LIMITED (CN) 2024-11-21 WO disclosed