SCHEMBL31556685

SCHEMBL31556685

CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1cc(Cl)ccc1CN1C(=C=S)NC(=O)c2[nH]cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PDE7B Q9NP56 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ GRM5 P41594 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CALCA P06881 1/20 0.31
▸ APP P05067 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA2B P18089 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
SCHEMBL31556635 0.89 MEN1 (0.36) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL31556679 0.87 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL31556672 0.84 ALDH1A1 (0.44) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL31556557 0.79 MPO (0.33) —
SCHEMBL31556589 0.79 MPO (0.33) —
SCHEMBL31556669 0.77 TSHR (0.36) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL31556674 0.76 ALDH1A1 (0.36) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL30749245 0.76 MPO (0.54) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL31556718 0.76 TSHR (0.36) ALDH1A1TSHRLMNAMEN1MAPT
SCHEMBL30749373 0.75 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMEN1MAPT

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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