SCHEMBL9312593

SCHEMBL9312593

CC(Oc1ccc(C=O)cc1)c1ccc2c(n1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.45
DRD1 P21728 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TYR P14679 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
POLB P06746 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL8800187 0.72 ALDH1A3 (0.49) ALDH1A3DRD1ALDH1A1TYRCYP2A6
SCHEMBL4170763 0.70 ADRA2A (0.43) ADRA2AADRA2BADRA2CSMN1; SMN2HTR2A
SCHEMBL28308800 0.70 ADRA2A (0.36) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL9312600 0.69 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL25060963 0.69 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL19817529 0.69 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL20877646 0.69 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL20877621 0.69 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3429112 0.67 ADRA2A (0.40) ADRA2AADRA2BADRA2CKDM4EHTR2A
SCHEMBL3033350 0.67 ALDH1A3 (0.61) ALDH1A3DRD1ALDH1A1TYRCYP2A6

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
US-5330999-A Diabetes, obesity ADIR ET COMPAGNIE (FR) 1994-07-19 US disclosed
US-5296605-A 2,4-thiazolidinedione compounds ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5266582-A Antidiabetic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US disclosed
EP-0528734-A1 Thiazolidin-2,4-dione derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-24 EP disclosed