SCHEMBL29597471

SCHEMBL29597471

COc1ccc2c(c1)CC(C)(C(=O)O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
METAP1 P53582 2/20 0.44
KDM4E B2RXH2 4/20 0.43
PRNP P04156 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GLA P06280 2/20 0.43
MAOB P27338 2/20 0.41
DYRK1A Q13627 2/20 0.40
UTS2R Q9UKP6 1/20 0.40
MIF P14174 1/20 0.40
PPIB P23284 1/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 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
SCHEMBL27188918 1.00 SMN1; SMN2 (0.61) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL5403243 0.88 SMN1; SMN2 (0.51) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL29713980 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL27188917 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL3958079 0.80 SMN1; SMN2 (0.54) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL4950145 0.79 SRD5A1 (0.43) SMN1; SMN2METAP1ALDH1A1
SCHEMBL10341535 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL27188923 0.75 SMN1; SMN2 (0.64) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL28910708 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL28547728 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CA1CA2CA4CA7

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-4013738-A1 PROCESS FOR PREPARING 1-INDANONE COMPOUNDS BY INTRAMOLECULAR FRIEDEL-CRAFTS REACTION OF ALPHA,ALPHA-DIALKYLMALONATE DERIVATIVES Firmenich SA (CH) 2022-06-22 EP claimed
CN-114514219-A Process for the preparation of 1-indanone compounds by intramolecular friedel-crafts reaction of derivatives of α, α -dialkyl malonates 弗门尼舍有限公司 2022-05-17 CN claimed
EP-4013738-A1 PROCESS FOR PREPARING 1-INDANONE COMPOUNDS BY INTRAMOLECULAR FRIEDEL-CRAFTS REACTION OF ALPHA,ALPHA-DIALKYLMALONATE DERIVATIVES Firmenich SA (CH) 2022-06-22 EP disclosed
CN-114514219-A Process for the preparation of 1-indanone compounds by intramolecular friedel-crafts reaction of derivatives of α, α -dialkyl malonates 弗门尼舍有限公司 2022-05-17 CN disclosed