SCHEMBL31556693

SCHEMBL31556693

CC(C)(C)OC(=O)N1CCC(C(F)(F)F)CC1c1ncccc1CN1C(=C=S)NC(=O)c2[nH]ccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 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
SCHEMBL31556664 1.00 CALCA (0.32) CALCAALDH1A1LMNATP53GLA
SCHEMBL31556650 0.89 TSHR (0.34) CALCAALDH1A1LMNATP53GLA
SCHEMBL31556718 0.78 TSHR (0.36) ALDH1A1LMNATP53GLA
SCHEMBL31556669 0.78 TSHR (0.36) ALDH1A1LMNATP53GLA
SCHEMBL27223502 0.77 MPO (0.51) —
SCHEMBL30749283 0.77 MPO (0.51) —
SCHEMBL31556631 0.75 TSHR (0.32) ALDH1A1LMNATP53GLA
SCHEMBL31556672 0.75 ALDH1A1 (0.44) ALDH1A1LMNATP53GLAPOLB
SCHEMBL31556639 0.75 TSHR (0.32) ALDH1A1LMNATP53GLA
SCHEMBL31556679 0.74 ALDH1A1 (0.42) ALDH1A1LMNAPOLB

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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