SCHEMBL9116067

SCHEMBL9116067

COc1c(C(=O)O)sc2ccc(C(=O)O)c(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCL2L1 Q07817 1/20 0.39
STING1 Q86WV6 2/20 0.39
PRSS12 P56730 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
BCKDK O14874 2/20 0.38
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKR1C3 P42330 1/20 0.35

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
SCHEMBL7464408 0.85 TDP1 (0.40) MCL1MAPK1MAPTTDP1BCL2L1
Hydrochloric Acid SCHEMBL7471693 0.84 TDP1 (0.39) MCL1MAPK1MAPTTDP1BCL2L1
SCHEMBL9117375 0.81 LMNA (0.39) MAPK1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL18529850 0.77 TDP1 (0.52) MAPTTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL7471683 0.77 MAPK1 (0.34) MCL1MAPK1MAPTTDP1BCL2L1
SCHEMBL17063591 0.74 ALDH1A1 (0.61) MAPTTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL11804008 0.73 MCL1 (0.46) MCL1MAPK1MAPTSTING1ALDH1A1
SCHEMBL6924772 0.73 TDP1 (0.51) MAPTTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL18542613 0.73 TDP1 (0.47) MAPK1MAPTTDP1ALDH1A1KDM4E
SCHEMBL2817995 0.73 TDP1 (0.66) MAPK1MAPTTDP1ALDH1A1KDM4E

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-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-09-21 WO disclosed