SCHEMBL28598263

SCHEMBL28598263

O=C(O)Cc1c(CC(=O)O)c(CC(=O)O)c(-c2c(CC(=O)O)c(CC(=O)O)c(CC(=O)O)c(CC(=O)O)c2CC(=O)O)c(CC(=O)O)c1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.44
CA2 P00918 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 2/20 0.35
CSNK2A3 Q8NEV1 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 2/20 0.35
NAPRT Q6XQN6 1/20 0.34
EGFR P00533 2/20 0.34
LMNA P02545 2/20 0.33
ABCC4 O15439 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL19202487 0.85 AKR1B1 (0.39) AKR1B1CA2CAMK2AGAAKDM4E
SCHEMBL3841742 0.75 CYP1A2 (0.42) AKR1B1CA2CAMK2AGAAKDM4E
SCHEMBL11803971 0.73 AKR1B1 (0.44) AKR1B1CA2CAMK2AGAAKDM4E
SCHEMBL7760507 0.73 CYP1A2 (0.41) AKR1B1CA2CAMK2AGAAKDM4E
SCHEMBL8824733 0.71 AKR1B1 (0.42) AKR1B1CA2CAMK2AGAAKDM4E
SCHEMBL11744319 0.71 AKR1B1 (0.42) AKR1B1CA2CAMK2AGAAKDM4E
SCHEMBL30940421 0.71 AKR1B1 (0.42) AKR1B1CA2CAMK2AGAAKDM4E
SCHEMBL15948192 0.71 AKR1B1 (0.42) AKR1B1CA2CAMK2AGAAKDM4E
SCHEMBL12042065 0.69 AKR1B1 (0.41) AKR1B1GAAKDM4EALDH1A1GLA
SCHEMBL11696665 0.69 AKR1B1 (0.52) AKR1B1CA2CAMK2AGAAKDM4E

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
CN-113185396-B Biphenyl decaformic acid, preparation method of biphenyl decamethyl decaformate and analysis method of biphenyl decamethyl decaformate 枣庄学院 2022-09-13 CN disclosed
CN-113185396-A Biphenyl decaformic acid, preparation method of biphenyl decamethyl decaformate and analysis method of biphenyl decamethyl decaformate 枣庄学院 2021-07-30 CN disclosed