SCHEMBL30281012

SCHEMBL30281012

COC(=O)c1cccc(CC2CCC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 6/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PPM1D O15297 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL30280859 0.79 PTGER4 (0.43) PTGER4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6175358 0.78 CD38 (0.48) PPM1DPOLB
SCHEMBL7444828 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30280919 0.78 ALDH1A1 (0.38) PTGER4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16957659 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHPGDHSD17B10
Benzene SCHEMBL28861656 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHSD17B10SMN1; SMN2
SCHEMBL30280725 0.77 PTGER4 (0.44) PTGER4ALDH1A1KDM4EMAPK1HPGD
SCHEMBL18432591 0.75 PDGFRB (0.43) PTGER4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16957220 0.75 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHSD17B10SMN1; SMN2
SCHEMBL4451303 0.75 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHSD17B10SMN1; SMN2

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
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed