SCHEMBL23109717

SCHEMBL23109717

O=C(O)[C@@]1(CO)CCCc2c1ccc(Cl)c2F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ PRKAB2 O43741 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAG3 Q9UGI9 1/20 0.31
▸ PRKAG2 Q9UGJ0 1/20 0.31
▸ PRKAB1 Q9Y478 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ AR P10275 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ EED O75530 1/20 0.31
▸ SUZ12 Q15022 1/20 0.31
▸ EZH2 Q15910 1/20 0.31
▸ P2RX7 Q99572 2/20 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
SCHEMBL23109718 1.00 HPGD (0.33) HPGDALDH1A1USP2PRKAB2PRKAG1
SCHEMBL23109716 1.00 HPGD (0.33) HPGDALDH1A1USP2PRKAB2PRKAG1
SCHEMBL23109722 0.85 EED (0.34) HPGDALDH1A1EEDSUZ12EZH2
SCHEMBL22253653 0.79 AR (0.34) HPGDAR
SCHEMBL23109827 0.78 EED (0.35) HPGDALDH1A1USP2AREED
SCHEMBL22254519 0.75 SLC6A3 (0.35) AR
Hydrochloric Acid SCHEMBL28559682 0.74 SLC6A3 (0.34) AR
SCHEMBL28571789 0.73 AR (0.38) HPGDUSP2AR
SCHEMBL23109720 0.73 EED (0.34) HPGDALDH1A1USP2LMNANPSR1
SCHEMBL22253607 0.72 CHRNB2 (0.34) 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
WO-2021047616-A1 OXYNITRIDE HETEROCYCLIC HEPTANE-BASED SPIRO COMPOUND, INTERMEDIATE AND PREPARATION METHOD THEREFOR 苏州亚盛药业有限公司 2021-03-18 — — WO disclosed
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