SCHEMBL5067950

SCHEMBL5067950

Cc1cc(OP(=O)(O)O)cc2oc(=O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.54
KDM4E B2RXH2 12/20 0.54
HSD17B10 Q99714 8/20 0.54
HPGD P15428 7/20 0.54
GAA P10253 8/20 0.52
GLA P06280 8/20 0.52
STS P08842 2/20 0.51
CA12 O43570 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
CA9 Q16790 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
AKR1B1 P15121 1/20 0.49
UGT1A1 P22309 1/20 0.49
MAOB P27338 1/20 0.49
KDR P35968 1/20 0.49
HSD17B3 P37058 1/20 0.49
MCL1 Q07820 1/20 0.49

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
SCHEMBL140039 0.88 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29391759 0.88 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
Phosphoric Acid SCHEMBL9224251 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL4610846 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL1873746 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29374108 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL6994348 0.78 KDM4E (0.78) ALDH1A1KDM4EHSD17B10HPGDGAA
Choline SCHEMBL10006627 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL7643428 0.78 AR (0.54) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL9751573 0.77 ALDH1A1 (0.82) ALDH1A1KDM4EHSD17B10HPGDGAA

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-2008118324-A2 COMPOSITION AND METHOD OF TREATING CANCER WITH AN ANTI-UROPLAKIN IB ANTIBODY MACROGENICS, INC. (US) 2008-10-02 WO disclosed