SCHEMBL31547019

SCHEMBL31547019

CCC(=O)[C@@H](C)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
EPHX1 P07099 6/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP2 P08253 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL26870367 1.00 SHBG (0.39) SHBGEPHX1CA12CA1CA2
SCHEMBL9432678 0.81
SCHEMBL10633592 0.81 SHBG (0.40) SHBGEPHX1CA12CA1CA2
SCHEMBL13632325 0.81 HTR1A (0.37) ALDH1A1KDM4E
SCHEMBL9876762 0.80 RAB9A (0.37) SHBGEPHX1CA12CA1CA2
SCHEMBL896557 0.79 ALDH1A1 (0.35) SHBGEPHX1ALDH1A1EPHX2KDM4E
SCHEMBL11459174 0.78 EPHX1 (0.39) SHBGEPHX1CA12CA1CA2
SCHEMBL11457968 0.78 EPHX1 (0.39) SHBGEPHX1CA12CA1CA2
SCHEMBL11458313 0.78 EPHX1 (0.39) SHBGEPHX1CA12CA1CA2
SCHEMBL27984541 0.78 SHBG (0.41) SHBGEPHX1CA12CA1CA2

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