SCHEMBL19838579

SCHEMBL19838579

CCOC(=O)C=C1COCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 3/20 0.46
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 6/20 0.40
P2RY12 Q9H244 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BCHE P06276 1/20 0.39
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
MPI P34949 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL19838576 1.00 CTDSP1 (0.46) CTDSP1TDP1POLBMAPTLMNA
SCHEMBL29960412 1.00 CTDSP1 (0.46) CTDSP1TDP1POLBMAPTLMNA
SCHEMBL7917078 0.88 CTDSP1 (0.44) CTDSP1TDP1POLBMAPTLMNA
SCHEMBL21538712 0.82 CTDSP1 (0.47) CTDSP1TDP1POLBMAPTLMNA
SCHEMBL7395455 0.82 RXRA (0.49) CTDSP1TDP1MAPTLMNAMDM2
SCHEMBL5479417 0.82 RXRA (0.49) CTDSP1TDP1MAPTLMNAMDM2
SCHEMBL7395451 0.82 RXRA (0.49) CTDSP1TDP1MAPTLMNAMDM2
SCHEMBL7399953 0.81 SMN1; SMN2 (0.51) CTDSP1TDP1POLBMAPTLMNA
SCHEMBL31660724 0.81 SMN1; SMN2 (0.51) CTDSP1TDP1POLBMAPTLMNA
SCHEMBL5479497 0.81 SMN1; SMN2 (0.51) CTDSP1TDP1POLBMAPTLMNA

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-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed