SCHEMBL8662012

SCHEMBL8662012

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.34
PDE3A Q14432 8/20 0.34
ADRB2 P07550 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
ADRB1 P08588 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
DRD2 P14416 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGS2 P35354 1/20 0.30
KMT2A Q03164 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
SCHEMBL13524438 0.74 PDE3B (0.41) PDE3BPDE3AKDM4ELMNACYP1A2
SCHEMBL7853166 0.74 SRD5A1 (0.43) PDE3BPDE3AKDM4EMEN1LMNA
SCHEMBL9229963 0.72 SRD5A1 (0.51) PDE3BPDE3AKDM4EMEN1PTGS2
SCHEMBL3142409 0.72 PDE3B (0.39) PDE3BPDE3AMEN1LMNAKMT2A
SCHEMBL429173 0.63 NPC1 (0.45) PDE3BPDE3AKDM4EMEN1LMNA
SCHEMBL3138016 0.62 PDE3B (0.42) PDE3BPDE3AKDM4ELMNACYP1A2
SCHEMBL12798630 0.61 PPARD (0.33)
SCHEMBL10818371 0.61 PDE3B (0.65) PDE3BPDE3A
SCHEMBL9046052 0.60 CA12 (0.35) PDE3BPDE3AKDM4EMEN1CYP1A2
SCHEMBL9045968 0.60 CA12 (0.40) PDE3BPDE3AKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed