SCHEMBL6609244

SCHEMBL6609244

O=C(O)OC1CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.57
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
DRD5 P21918 1/20 0.45
CYP19A1 P11511 2/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL7407777 0.88 NR2E1 (0.53) NR2E1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL9056249 0.88 NR2E1 (0.56) NR2E1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL6612451 0.88 NR2E1 (0.59) NR2E1HSD17B10HPGDKDM4ECYP1A2
Hydrochloric Acid SCHEMBL7417242 0.87 NR2E1 (0.52) NR2E1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL2309545 0.80 NR2E1 (0.60) NR2E1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL31078875 0.80 NR2E1 (0.60) NR2E1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL12660565 0.80 NR2E1 (0.60) NR2E1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL8528531 0.80 NR2E1 (0.63) NR2E1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL6010084 0.78 KDM4E (0.59) NR2E1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL4903024 0.77 NR2E1 (0.64) NR2E1HSD17B10HPGDKDM4ECYP1A2

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-1453803-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) Zentaris GmbH (DE) 2004-09-08 EP disclosed
WO-2003051837-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) ZENTARIS GMBH (DE) 2003-06-26 WO disclosed
EP-0115607-A1 Tetrahydrocarbazol derivatives MERCK PATENT GmbH (DE) 1984-08-15 EP disclosed