SCHEMBL7853166

SCHEMBL7853166

C=CCc1c(O)ccc2[nH]c(=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
PDE3B Q13370 9/20 0.39
PDE3A Q14432 9/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
XDH P47989 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH2 P05091 1/20 0.34
GAA P10253 1/20 0.34
AKR1B1 P15121 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARD Q03181 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3142409 0.81 PDE3B (0.39) PDE3BPDE3AMAPTMEN1KMT2A
SCHEMBL13524438 0.81 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6398012 0.77 SRD5A1 (0.49) SRD5A1KDM4EALDH1A1XDHGABRA1
SCHEMBL9229963 0.76 SRD5A1 (0.51) SRD5A1PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7855008 0.76 SRD5A1 (0.51) SRD5A1KDM4EALDH1A1XDHGABRA1
SCHEMBL1400229 0.76 SRD5A1 (0.40) SRD5A1KDM4EALDH1A1XDHGABRA1
SCHEMBL8662012 0.74 PDE3B (0.34) PDE3BPDE3AKDM4EMEN1KMT2A
SCHEMBL429173 0.74 NPC1 (0.45) PDE3BPDE3AKDM4EALDH1A1GABRA1
SCHEMBL9094062 0.74 KDM4E (0.37) SRD5A1KDM4EALDH1A1MAPTGAA
SCHEMBL30690978 0.72 PDE3B (0.46) PDE3BPDE3AKDM4EALDH1A1MAPT

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-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
US-5576324-A Quinoline derivatives or salt thereof and remedy for cardiac diseases containing the same KOWA CO., LTD. (JP) 1996-11-19 US disclosed
EP-0638571-A1 QUINOLINE DERIVATIVE OR SALT THEREOF AND REMEDY FOR CARDIAC DISEASES CONTAINING THE SAME KOWA CO. LTD. (JP) 1995-02-15 EP disclosed