SCHEMBL29600536

SCHEMBL29600536

Cc1c(O)ccc2c1CCCCC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC22A8 Q8TCC7 7/20 0.43
SLC22A6 Q4U2R8 5/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MAOB P27338 2/20 0.41
PRKCI P41743 1/20 0.41
BRD4 O60885 1/20 0.40
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL24362726 1.00 MAOA (0.47) MAOAKDM4EALDH1A1GLAGAA
SCHEMBL6172309 0.96 MAOA (0.44) MAOAKDM4EALDH1A1GLAGAA
SCHEMBL386061 0.89 SLC22A8 (0.49) MAOAKDM4EALDH1A1GLAGAA
SCHEMBL6112997 0.81 ACHE (0.53) MAOAKDM4EALDH1A1GLAGAA
SCHEMBL6112844 0.81 ACHE (0.53) MAOAKDM4EALDH1A1GLAGAA
SCHEMBL14967691 0.79 TDP2 (0.43) MAOAKDM4EALDH1A1HPGDMAOB
SCHEMBL30396499 0.78 MAPK14 (0.35) MAOAKDM4EALDH1A1HPGDMAOB
SCHEMBL24362691 0.78 MAOA (0.44) MAOAKDM4EALDH1A1GLAGAA
SCHEMBL19132606 0.78 HSD17B1 (0.41) MAOAKDM4EALDH1A1GLAGAA
SCHEMBL24362724 0.77 KDM4E (0.54) MAOAKDM4EALDH1A1GLAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4228758-B1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2024-07-24 EP disclosed
EP-4228758-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2023-08-23 EP disclosed
WO-2022084280-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2022-04-28 WO disclosed