SCHEMBL31556631

SCHEMBL31556631

CC(C)(C)OC(=O)N1CCOCC1c1ccccc1CN1C(=C=S)NC(=O)c2[nH]ccc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ NR1H2 P55055 3/20 0.30
▸ RXRA P19793 2/20 0.30
▸ NR1H3 Q13133 2/20 0.30

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
SCHEMBL31556639 1.00 TSHR (0.32) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556674 0.90 ALDH1A1 (0.36) TSHRALDH1A1LMNAJAK1
SCHEMBL31556718 0.88 TSHR (0.36) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556669 0.88 TSHR (0.36) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556648 0.83 MAPT (0.40) TP53JAK1
SCHEMBL31556694 0.81 JAK2 (0.41) ALDH1A1JAK1
SCHEMBL31556672 0.79 ALDH1A1 (0.44) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556650 0.78 TSHR (0.34) TSHRALDH1A1LMNATP53GLA
SCHEMBL31556679 0.78 ALDH1A1 (0.42) TSHRALDH1A1LMNACASP1
SCHEMBL31556586 0.76 MPO (0.35) —

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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