SCHEMBL20103945

SCHEMBL20103945

CCC1CCC2(CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
FFAR4 Q5NUL3 1/20 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
SCHEMBL19501864 0.97 KDM4E (0.45) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL24720929 0.90 KDM4E (0.38) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL24969519 0.89 KDM4E (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL10485385 0.86 KDM4E (0.42) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL24294622 0.85 KDM4E (0.38) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL20052493 0.83 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL21321131 0.83 KDM4E (0.37) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL22703979 0.81 KDM4E (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL22704530 0.81 KDM4E (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL22704496 0.81 NCF1 (0.37) KDM4EALDH1A1GAAHPGDSMN1; 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
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed