SCHEMBL31547005

SCHEMBL31547005

CCOC(=O)[C@@H](C)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.42
METAP2 P50579 1/20 0.40
SHBG P04278 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL1006462 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL7626922 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL1869642 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL31547036 0.98 ALDH1A1 (0.46) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL2648204 0.98 ALDH1A1 (0.46) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL4680121 0.90 L3MBTL1 (0.46) ALDH1A1NPSR1TSHRL3MBTL1CYP2D6
SCHEMBL3271470 0.88 KMT2A (0.45) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL27768476 0.85 ALDH1A1 (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL28869989 0.85 TSHR (0.40) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL17747172 0.82 SHBG (0.45) ALDH1A1NPSR1TSHRL3MBTL1SHBG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076360-A1 COMPOSITIONS, SYSTEMS, AND METHODS FOR STEREOSELECTIVE DECARBOXYLATIVE RADICAL CYCLIZATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-10 WO claimed
WO-2025076360-A1 COMPOSITIONS, SYSTEMS, AND METHODS FOR STEREOSELECTIVE DECARBOXYLATIVE RADICAL CYCLIZATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-10 WO disclosed