SCHEMBL25010679

SCHEMBL25010679

COC(=O)CC1CC(CN)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
EPHX2 P34913 1/20 0.41
TSHR P16473 4/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1H2 P55055 1/20 0.36
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRR1 P24046 2/20 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
SCHEMBL26868278 0.90 BRD4 (0.40) BRD4EPHX2TSHRLMNAKDM4E
SCHEMBL6874283 0.83 LMNA (0.47) BRD4EPHX2TSHRLMNAKDM4E
SCHEMBL20855750 0.83 LMNA (0.47) BRD4EPHX2TSHRLMNAKDM4E
SCHEMBL16977581 0.83 LMNA (0.47) BRD4EPHX2TSHRLMNAKDM4E
SCHEMBL337633 0.81 BRD4 (0.44) BRD4EPHX2TSHRNR1H2GAA
SCHEMBL22483469 0.81 BRD4 (0.44) BRD4TSHRLMNAKDM4ENR1H2
SCHEMBL22526606 0.81 BRD4 (0.44) BRD4EPHX2TSHRNR1H2GAA
SCHEMBL1966116 0.81 BRD4 (0.44) BRD4EPHX2TSHRNR1H2GAA
SCHEMBL1969174 0.81 BRD4 (0.44) BRD4EPHX2TSHRNR1H2GAA
SCHEMBL10248813 0.81 BRD4 (0.44) BRD4TSHRNR1H2GAAHSD17B10

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-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed