SCHEMBL25149082

SCHEMBL25149082

CC1(C)CCC(c2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)c(=O)[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B2 P37059 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
SCHEMBL25148754 0.79 KDM4E (0.40) KDM4EGAAAPPCYP3A4CYP2D6
SCHEMBL31273368 0.69 KDM4E (0.47) KDM4EGLAGAACYP2C19HSD17B2
SCHEMBL25149262 0.67 LMNA (0.44) GAAHSD17B2
SCHEMBL25149130 0.66 KDM4E (0.41) KDM4EGLAGAA
SCHEMBL31273371 0.66 DAO (0.37) KDM4EGAA
SCHEMBL17844663 0.65 KDM4E (0.47) KDM4EGAA
SCHEMBL25149085 0.65 LMNA (0.32) HSD17B2
SCHEMBL31422912 0.64 CNR2 (0.36) HSD17B2
SCHEMBL31423302 0.64 MMP9 (0.36) KDM4E
SCHEMBL31422848 0.64 CNR2 (0.34)

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-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed