SCHEMBL30516655

SCHEMBL30516655

COC(=O)C1CC2(CCC2)C1NC(=O)c1cc(Br)sc1Br

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 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
SCHEMBL30516637 0.81 NPC1 (0.38) —
SCHEMBL30516632 0.76 CNR2 (0.36) ALDH1A1
SCHEMBL30516661 0.74 NPC1 (0.42) ALDH1A1
SCHEMBL30516656 0.72 TSHR (0.49) ALDH1A1
SCHEMBL30516667 0.72 HDAC1 (0.40) —
SCHEMBL20723613 0.69 HPGD (0.47) ALDH1A1
SCHEMBL21054378 0.65 CA12 (0.40) ALDH1A1
SCHEMBL30135621 0.65 CHRM2 (0.32) —
SCHEMBL11841036 0.59 GSK3B (0.38) ALDH1A1
SCHEMBL25439322 0.59 SLC6A12 (0.37) ALDH1A1

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-116529238-A Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof 治纳辅医药科技有限公司 2023-08-01 — — CN disclosed
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