SCHEMBL8396284

SCHEMBL8396284

O=[C]CCc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 15/20 0.69
ALDH1A1 P00352 4/20 0.66
GAA P10253 3/20 0.66
ERAP1 Q9NZ08 1/20 0.66
AKR1B1 P15121 2/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
GRB2 P62993 1/20 0.61
KDM4E B2RXH2 3/20 0.56
GLA P06280 2/20 0.56
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
UGT1A1 P22309 1/20 0.53
MAOB P27338 1/20 0.53
CASP1 P29466 1/20 0.53
KDR P35968 1/20 0.53

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
SCHEMBL2121839 0.85 HSD17B3 (0.69) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL4215955 0.83 HSD17B3 (0.75) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL12433414 0.82 HSD17B3 (0.73) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL536846 0.82 HSD17B3 (1.00) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL27469537 0.82 HSD17B3 (0.73) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL27989780 0.81 HSD17B3 (0.73) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL27578191 0.81 HSD17B3 (0.73) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL3762732 0.80 HSD17B3 (1.00) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL4176874 0.80 HSD17B3 (0.76) HSD17B3ALDH1A1GAAERAP1AKR1B1
SCHEMBL8396287 0.79 HSD17B3 (0.69) HSD17B3ALDH1A1GAAERAP1AKR1B1

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
US-5872207-A AMINOPROPYL SILICATE ON GLASS BEADS WITH PEPTIDES, CLEAVAGE WITH PROTEASE AND FLUORESECNCE SANOFI PHARMACEUTICALS, INC. (US) 1999-02-16 US disclosed
US-5872207-A AMINOPROPYL SILICATE ON GLASS BEADS WITH PEPTIDES, CLEAVAGE WITH PROTEASE AND FLUORESECNCE SANOFI PHARMACEUTICALS, INC. (US) 1999-02-16 US disclosed