SCHEMBL21793455

SCHEMBL21793455

CCOC(=O)[C@H](CO)NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAD P27708 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
TGFBR1 P36897 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13940113 1.00 CAD (0.43) CADL3MBTL1MGAMGAASI
SCHEMBL24946263 1.00 CAD (0.43) CADL3MBTL1MGAMGAASI
SCHEMBL2734760 0.84 CAD (0.44) CADL3MBTL1MGAMGAASI
SCHEMBL14035153 0.83 SPHK1 (0.36) ALDH1A1LMNATGFBR1KDM4ESPHK1
SCHEMBL17619410 0.81
SCHEMBL8243247 0.81
SCHEMBL9069562 0.81
SCHEMBL120528 0.80 L3MBTL1 (0.46) CADL3MBTL1MGAMGAASI
SCHEMBL23177802 0.80 CAD (0.42) CADL3MBTL1MGAMGAASI
SCHEMBL22859885 0.80 CAD (0.42) CADL3MBTL1MGAMGAASI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151897-A1 TOFA ANALOGUES, SEBUM REDUCTION PREPARATIONS CONTAINING SAID TYPE OF ANALOGUES AND THE COSMETIC AND/OR THERAPEUTIC USE OF SAID TYPE OF ANALOGUES AS AN EFFECTIVE PRINCIPLE FOR REDUCING OR PREVENTING SEBUM BEIERSDORF AG (DE) 2023-08-17 WO disclosed
WO-2020047035-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS CHEMOCENTRYX, INC. (US) 2020-03-05 WO disclosed