SCHEMBL28512457

SCHEMBL28512457

CCOC(=O)CC(=O)C1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NAMPT P43490 1/20 0.42
NOTUM Q6P988 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PPID Q08752 1/20 0.40
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6534296 0.90 GHSR (0.49) GAANOTUMSMN1; SMN2MTNR1AMTNR1B
SCHEMBL30047263 0.80 ALDH1A1 (0.52) GAATSHR
SCHEMBL259951 0.80 ALDH1A1 (0.52) GAATSHR
SCHEMBL14022821 0.77 MTNR1A (0.47) TSHRMTNR1AMTNR1B
SCHEMBL24045426 0.77 ALDH1A1 (0.46) GAATSHRSMN1; SMN2LMNA
SCHEMBL2246761 0.77 GAA (0.47) GAANOTUMTSHR
SCHEMBL7334700 0.76 MTNR1A (0.47) GAANAMPTSMN1; SMN2PPIDMTNR1A
SCHEMBL15785717 0.76 AKR1C3 (0.46) TSHRSMN1; SMN2
SCHEMBL12611599 0.76 AKR1C3 (0.46) TSHRSMN1; SMN2
SCHEMBL7909264 0.75 ATM (0.52) GAANFKB1NFKB2RELASMN1; 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-112358482-A [1,2,4] triazole derivative and application thereof in preparation of medicines for treating neurodegenerative diseases and premature ovarian failure 李奇峰 2021-02-12 CN claimed
CN-112358482-A [1,2,4] triazole derivative and application thereof in preparation of medicines for treating neurodegenerative diseases and premature ovarian failure 李奇峰 2021-02-12 CN disclosed