SCHEMBL23223299

SCHEMBL23223299

CCCCn1cc(CO[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@@]3(C)C4CC[C@@H]3[C@H](C)CCCC(C)C)C2)nn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 7/20 0.63
FGF1 P05230 7/20 0.63
FGF2 P09038 7/20 0.63
CDC25A P30304 4/20 0.57
POLA1 P09884 1/20 0.57
ST3GAL1 Q11201 1/20 0.57
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
INPP5D Q92835 1/20 0.53

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
SCHEMBL23223301 1.00 HPSE (0.63) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL21340577 0.96 HPSE (0.65) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL24017722 0.93 CDC25A (0.60) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL24017768 0.92 HPSE (0.61) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL21340483 0.92 HPSE (0.61) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL20004930 0.90 CDC25A (0.61) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL21340268 0.88 CDC25A (0.61) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL24017723 0.88 CDC25A (0.61) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL23614817 0.81 HPSE (0.61) HPSEFGF1FGF2CDC25APOLA1
SCHEMBL19009194 0.80 CDC25A (0.73) HPSEFGF1CDC25APOLA1CYP2D6

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
EP-3515455-B1 COMPOUNDS FOR TREATMENT OF LIPOPROTEIN METABOLISM DISORDERS UNIV AARHUS (DK) 2021-04-14 EP disclosed