SCHEMBL21043636

SCHEMBL21043636

O=C(O)OCCc1cc2oc(=O)sc2cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 5/20 0.51
GAA P10253 3/20 0.41
ALPI P09923 2/20 0.41
ALPG P10696 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALPL P05186 1/20 0.41
MAOA P21397 6/20 0.38
MAOB P27338 6/20 0.38
MAPT P10636 5/20 0.37
CA2 P00918 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 4/20 0.32
ALOX15 P16050 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL21043638 0.86 CUL4A (0.53) CUL4AGAAALPIALPGKDM4E
SCHEMBL21043634 0.84 CUL4A (0.51) CUL4AGAAALPIALPGKDM4E
SCHEMBL21043632 0.75 CUL4A (0.55) CUL4AGAAALPIALPGKDM4E
SCHEMBL21043640 0.73 CUL4A (0.53) CUL4AGAAALPIALPGKDM4E
SCHEMBL21043637 0.73 CUL4A (0.52) CUL4AMAOAMAOB
SCHEMBL17434665 0.68 NPC1 (0.32) GAAMAPTHPGDLMNAPKM
SCHEMBL9234344 0.65 L3MBTL1 (0.34) MAPTHPGDALDH1A1HSD17B10TDP1
SCHEMBL6695069 0.64 ALDH1A1 (0.47) KDM4EMAPTHPGDHTTKMT2A
SCHEMBL7096241 0.63 ESR2 (0.46) HPGD
SCHEMBL27449727 0.62 TAAR1 (0.47)

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
EP-2887940-B1 INHIBITORS OF CRL4 UBIQUITIN LIGASE AND USES THEREOF UNIV CORNELL (US) 2019-06-05 EP claimed