SCHEMBL8595169

SCHEMBL8595169

O=C(O)C1CCCc2[nH]c3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CASP1 P29466 1/20 0.43
BRD3 Q15059 1/20 0.42
HTR5A P47898 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 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
SCHEMBL3258128 0.87 SIRT1 (0.63) SIRT1SIRT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11848642 0.83 KDM4E (0.50) SIRT1SIRT2KDM4EALDH1A1
Sulfuric Acid SCHEMBL8592514 0.82 SIRT1 (0.57) SIRT1SIRT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11830018 0.82 SIRT1 (0.53) SIRT1SIRT2MAPKAPK2
SCHEMBL11835576 0.81 GABRA1 (0.44) SIRT1SIRT2CASP1MAPKAPK2SIGMAR1
SCHEMBL11830770 0.81 SIRT1 (0.65) SIRT1SIRT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL901479 0.80 TSPO (0.55) SIRT1SIRT2SMN1; SMN2
SCHEMBL11844570 0.80 SIRT2 (0.43) SIRT1SIRT2KDM4EALDH1A1CASP1
SCHEMBL8574636 0.79 SIRT2 (0.42) SIRT1SIRT2KDM4EALDH1A1CASP1
SCHEMBL14473893 0.78 BRD3 (0.58) SIRT1SIRT2KDM4EALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022178-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE Healthcare Limited (GB) 2016-05-25 EP disclosed
WO-2015007834-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2015-01-22 WO disclosed
WO-1998055115-A1 CARBOXAMIDES USEFUL AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-12-10 WO disclosed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 US disclosed