SCHEMBL31556718

SCHEMBL31556718

CC(C)(C)OC(=O)N1CCCCC1c1ccccc1CN1C(=C=S)NC(=O)c2[nH]ccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ UCHL1 P09936 2/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ NR1H2 P55055 1/20 0.31

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
SCHEMBL31556669 0.99 TSHR (0.36) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556679 0.89 ALDH1A1 (0.42) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL31556639 0.88 TSHR (0.32) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556631 0.88 TSHR (0.32) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556650 0.88 TSHR (0.34) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556672 0.87 ALDH1A1 (0.44) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556648 0.86 MAPT (0.40) TP53GPR119MAPT
SCHEMBL31556694 0.86 JAK2 (0.41) ALDH1A1KDM1AMEN1KMT2AGPR119
SCHEMBL31556580 0.76 MPO (0.50) —
SCHEMBL31556574 0.76 MPO (0.50) —

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
CN-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 — — CN disclosed
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