SCHEMBL8907681

SCHEMBL8907681

CCOC(=O)C1C2CC(Cc3cccc(C)c3)C(=O)C21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8891866 0.89 KDM4E (0.45) ALDH1A1KMT2AMEN1POLBCA12
SCHEMBL8471428 0.88 MAPT (0.49) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8764454 0.81 MDM2 (0.36) ALDH1A1KMT2APOLBCYP1A2CYP2C19
SCHEMBL8764221 0.81 ATM (0.43) ALDH1A1KMT2AMEN1L3MBTL1CYP1A2
SCHEMBL8764485 0.80 GRM2 (0.41) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8763820 0.80 GRM2 (0.41) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8764408 0.80 GRM2 (0.41) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8472350 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL8892774 0.79 CA1 (0.48) ALDH1A1KMT2AMEN1CA12CA1
SCHEMBL8892095 0.77 TSHR (0.38) ALDH1A1KMT2AMEN1CYP1A2CYP2C19

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