SCHEMBL9739640

SCHEMBL9739640

CCOC(=O)[C@H]1CCc2ccccc2O1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.67
CYP4A11 Q02928 1/20 0.67
ALDH1A1 P00352 4/20 0.45
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD11B1 P28845 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 2/20 0.42
OPRK1 P41145 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7636320 1.00 CYP4F2 (0.67) CYP4F2CYP4A11ALDH1A1CA2POLB
Acetic Acid SCHEMBL20876688 0.96 CYP4F2 (0.62) CYP4F2CYP4A11ALDH1A1CA2POLB
SCHEMBL2426350 0.85 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1TSHRHPGD
SCHEMBL9129772 0.85 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1POLBMEN1
SCHEMBL4675667 0.85 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1CA2HSD11B1
SCHEMBL29588217 0.84 CYP4F2 (0.47) CYP4F2CYP4A11CA2HSD11B1MEN1
SCHEMBL5848088 0.84 CYP4F2 (0.47) CYP4F2CYP4A11CA2HSD11B1MEN1
SCHEMBL5848091 0.84 CYP4F2 (0.47) CYP4F2CYP4A11CA2HSD11B1MEN1
SCHEMBL4926783 0.84 CYP4F2 (0.47) CYP4F2CYP4A11CA2HSD11B1MEN1
SCHEMBL12660944 0.83 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1POLBMEN1

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
US-5089637-A PROCESS AND INTERMEDIATES FOR 2R-BENZYL-CHROMAN-6-CARBALDEHYDE PFIZER INC. (US) 1992-02-18 US disclosed