SCHEMBL21597799

SCHEMBL21597799

C[C@H]1c2c(sc(NC(=O)C3CC3)c2C(=O)NCC2CC2)CCC1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.44
CNR1 P21554 5/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
FLT3 P36888 1/20 0.40
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
RORC P51449 1/20 0.36
MAPK14 Q16539 1/20 0.36
CXCR2 P25025 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
REV1 Q9UBZ9 3/20 0.35
KMT2A Q03164 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
SCHEMBL21597578 0.90 CNR2 (0.43) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597436 0.88 CNR2 (0.44) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21603644 0.88 CNR2 (0.44) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL27416460 0.88 CNR2 (0.44) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21604170 0.88 CNR2 (0.44) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597755 0.87 CNR2 (0.42) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597556 0.83 CXCR2 (0.51) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597693 0.83 CNR2 (0.38) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597113 0.79 CNR2 (0.50) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597125 0.76 CNR2 (0.65) CNR2CNR1KDM4EHSD17B10MAPT

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
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed