SCHEMBL21747296

SCHEMBL21747296

O=C(CCC1CCC1)C1OCCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD11B1 P28845 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
USP2 O75604 1/20 0.33
GAA P10253 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
SCHEMBL21747419 0.96 HPGD (0.39) HPGDTP53ALDH1A1HSD11B1LMNA
SCHEMBL21747242 0.96 HPGD (0.43) HPGDTP53ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL902902 0.72
SCHEMBL21980183 0.72 LMNA (0.33) HPGDTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL13729122 0.70 KMT2A (0.30) KMT2A
SCHEMBL21747400 0.69 LMNA (0.33) HPGDTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL1009256 0.69
SCHEMBL10588209 0.69
SCHEMBL17445694 0.68 HPGD (0.42) HPGDTP53ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL21747409 0.68 CES2 (0.34) HPGDTP53ALDH1A1HSD11B1LMNA

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