SCHEMBL29732200

SCHEMBL29732200

OC1(C(F)(F)F)C[C@@]2(CCCC3(C2)OCCO3)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.31

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
SCHEMBL28795655 1.00 PDK2 (0.33) PDK2KDM4EALDH1A1LMNATP53
SCHEMBL29732300 0.85 PDK2 (0.40) PDK2LMNA
SCHEMBL28795605 0.85 PDK2 (0.40) PDK2LMNA
SCHEMBL23668773 0.81 NOTUM (0.33) TSHRNOTUM
SCHEMBL29509366 0.81 NOTUM (0.33) TSHRNOTUM
SCHEMBL23360888 0.71 SIGMAR1 (0.41) ALDH1A1TP53TSHR
SCHEMBL29656521 0.71 SIGMAR1 (0.41) ALDH1A1TP53TSHR
SCHEMBL23645253 0.70
SCHEMBL29732180 0.70 PDK2 (0.34) PDK2TSHRSMN1; SMN2
SCHEMBL29732305 0.70 PDK2 (0.34) PDK2TSHRSMN1; SMN2

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
CN-114805311-B Spirocyclic indenes 苏州亚盛药业有限公司 2024-10-29 CN disclosed
WO-2022156761-A1 SPIROCYCLIC INDENES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-07-28 WO disclosed