SCHEMBL21597744

SCHEMBL21597744

CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2C.O=C(Cl)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 8/20 0.53
HPGD P15428 3/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 3/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.48
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48
POLB P06746 3/20 0.46
GAA P10253 2/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CXCR2 P25025 1/20 0.45
HIF1A Q16665 1/20 0.44
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL21603868 0.95 MAPT (0.58) MAPTALDH1A1HPGDMAPK1TSHR
SCHEMBL21597619 0.86 MAPT (0.53) MAPTALDH1A1HPGDMAPK1TSHR
SCHEMBL21597242 0.84 ALDH1A1 (0.68) MAPTALDH1A1HPGDMAPK1TSHR
SCHEMBL27419169 0.81 MAPT (0.57) MAPTALDH1A1HPGDMAPK1TSHR
SCHEMBL22532924 0.79 ALDH1A1 (0.52) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL21603874 0.79 KDM4E (0.50) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL5451004 0.78 MAPT (0.77) MAPTALDH1A1HPGDTSHRKMT2A
SCHEMBL3923739 0.78 CXCR2 (0.70) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21597081 0.77 MAPT (0.48) MAPTALDH1A1HPGDKMT2ALMNA
Water SCHEMBL21597714 0.76 KDM4E (0.47) MAPTALDH1A1KDM4EHSD17B10GAA

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