SCHEMBL21747419

SCHEMBL21747419

O=C(CCC1CC1)C1OCCCO1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
TP53 P04637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD11B1 P28845 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAAA Q02083 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL21747242 0.96 HPGD (0.43) HPGDTP53ALDH1A1HSD11B1POLB
SCHEMBL21747296 0.96 HPGD (0.39) HPGDTP53ALDH1A1HSD11B1POLB
SCHEMBL902902 0.72
SCHEMBL13729122 0.70 KMT2A (0.30) KMT2A
SCHEMBL21747400 0.69 LMNA (0.33) HPGDTP53ALDH1A1POLBKMT2A
SCHEMBL21747409 0.68 CES2 (0.34) HPGDTP53ALDH1A1HSD11B1POLB
SCHEMBL21980183 0.68 LMNA (0.33) HPGDTP53ALDH1A1POLBKMT2A
SCHEMBL5880920 0.67 HPGD (0.50) HPGDTP53ALDH1A1HSD11B1MEN1
SCHEMBL28524702 0.67 CES2 (0.38) HPGDTP53ALDH1A1HSD11B1POLB
SCHEMBL27949317 0.66 HPGD (0.54) HPGDTP53ALDH1A1HSD11B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613742-B1 INDOLIZINE DERIVATIVES AND APPLICATION THEREOF IN MEDICINE KIND PHARMACEUTICAL (CN) 2022-12-07 EP disclosed
CN-113004271-A Indolizine derivative and application thereof in medicine 杭州安道药业有限公司 2021-06-22 CN disclosed
CN-108484598-B Indolizine derivative and application thereof in medicine 杭州安道药业有限公司 2021-03-02 CN disclosed
EP-3613742-A1 INDOLIZINE DERIVATIVES AND APPLICATION THEREOF IN MEDICINE Kind Pharmaceutical (CN) 2020-02-26 EP disclosed