SCHEMBL25282452

SCHEMBL25282452

CCOC(=O)Nc1sc(-c2ccc(Cl)cc2)c(C)c1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
HPGD P15428 5/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GRM6 O15303 4/20 0.57
PRKCZ Q05513 2/20 0.56
POLB P06746 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 4/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.51
CASP1 P29466 1/20 0.51
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL6647319 0.84 AR (0.52) ALDH1A1HPGDMEN1KMT2AGRM6
SCHEMBL25758961 0.82 GRM6 (0.76) ALDH1A1HPGDMEN1KMT2AGRM6
SCHEMBL26756189 0.80 PKM (0.51) ALDH1A1HPGDMEN1KMT2AGRM6
SCHEMBL3498006 0.80 GRM6 (0.58) ALDH1A1HPGDMEN1KMT2AGRM6
SCHEMBL16077447 0.79 ALDH1A1 (0.60) ALDH1A1HPGDMEN1KMT2AGRM6
SCHEMBL10406531 0.78 KMT2A (0.75) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL26756120 0.76 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AGRM6
SCHEMBL28476429 0.76 AR (0.48) ALDH1A1HPGDMEN1KMT2AGRM6
SCHEMBL26474684 0.75 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL29519251 0.75 PRKCZ (0.44) ALDH1A1HPGDMEN1KMT2AGRM6

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
WO-2023119333-A1 PROCESS FOR PREPARATION OF RELUGOLIX AND ITS INTERMEDIATES DR. REDDY’S LABORATORIES LIMITED (IN) 2023-06-29 WO disclosed
WO-2023119333-A1 PROCESS FOR PREPARATION OF RELUGOLIX AND ITS INTERMEDIATES DR. REDDY’S LABORATORIES LIMITED (IN) 2023-06-29 WO disclosed