SCHEMBL8892774

SCHEMBL8892774

CCOC(=O)C1C2CC(Cc3ccc(OC)c(F)c3)C(=O)C21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
CA12 O43570 3/20 0.48
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
PRKCZ Q05513 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8764485 0.84 GRM2 (0.41) CA1CA2CA9CA12ALDH1A1
SCHEMBL8764408 0.84 GRM2 (0.41) CA1CA2CA9CA12ALDH1A1
SCHEMBL8763820 0.84 GRM2 (0.41) CA1CA2CA9CA12ALDH1A1
SCHEMBL8472350 0.82 ALDH1A1 (0.43) CA1CA2CA9CA12ALDH1A1
SCHEMBL8471428 0.81 MAPT (0.49) CA1CA2CA9CA12ALDH1A1
SCHEMBL8907681 0.79 ALDH1A1 (0.41) CA1CA2CA9CA12ALDH1A1
SCHEMBL8891866 0.78 KDM4E (0.45) CA1CA2CA9CA12ALDH1A1
SCHEMBL8764221 0.77 ATM (0.43) ALDH1A1KDM4EHPGDTSHRATM
SCHEMBL8764454 0.75 MDM2 (0.36) ALDH1A1KDM4EHTTLMNATSHR
SCHEMBL8892095 0.73 TSHR (0.38) ALDH1A1KDM4EHTTHPGDTSHR

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-1997017950-A1 SHOULDER PROSTHESIS ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed