SCHEMBL21597580

SCHEMBL21597580

CC(C)CNC(=O)c1c(NC(=O)C2CC2)sc2c1C[C@@H](NC(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 3/20 0.43
REV1 Q9UBZ9 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FLT3 P36888 1/20 0.42
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL21597867 1.00 CNR2 (0.46) CNR2CNR1KDM4EREV1MAPT
SCHEMBL21603872 0.88 CNR2 (0.45) CNR2CNR1KDM4EREV1MAPT
SCHEMBL21597745 0.85 CNR2 (0.51) CNR2CNR1KDM4EREV1MAPT
SCHEMBL21597106 0.83 CNR2 (0.43) CNR2CNR1MAPTKMT2AALDH1A1
SCHEMBL21597123 0.79 CNR2 (0.48) CNR2CNR1KDM4EREV1MAPT
SCHEMBL21603969 0.78 CNR2 (0.46) CNR2CNR1KDM4EREV1MAPT
SCHEMBL21597118 0.77 CNR2 (0.45) CNR2CNR1KDM4EREV1MAPT
SCHEMBL21604198 0.77 CNR2 (0.52) CNR2CNR1KDM4EREV1MAPT
SCHEMBL21597811 0.76 CNR2 (0.48) CNR2CNR1KDM4EREV1MAPT
SCHEMBL27418050 0.76 FLT3 (0.47) CNR2CNR1KDM4EREV1MAPT

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