SCHEMBL7315270

SCHEMBL7315270

CCCCCCN(C(=O)CCCOc1cc(C)cc([N+](=O)[O-])c1C(C)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
F2 P00734 1/20 0.37
PDE3B Q13370 6/20 0.35
PDE3A Q14432 6/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.34
PDE2A O00408 1/20 0.34
P2RY12 Q9H244 1/20 0.34
GAA P10253 1/20 0.34
CASP6 P55212 1/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7306411 0.86 THRA (0.39) THRATHRBF2PDE3BPDE3A
SCHEMBL7310755 0.86 THRA (0.39) THRATHRBF2PDE3BPDE3A
SCHEMBL7315281 0.84 KMT2A (0.33) THRATHRBF2ALDH1A1KMT2A
SCHEMBL7313849 0.79 L3MBTL1 (0.39) THRATHRBPDE3BPDE3AKDM4E
SCHEMBL7310371 0.78 PDE3B (0.42) THRATHRBPDE3BPDE3APDE2A
SCHEMBL7315054 0.78 L3MBTL1 (0.38) PDE3BPDE3AKDM4EALDH1A1KMT2A
SCHEMBL10375733 0.78 PDE3B (0.39) PDE3BPDE3AKDM4EALDH1A1KMT2A
SCHEMBL10375053 0.77 THRA (0.40) THRATHRBPDE3BPDE3AKDM4E
SCHEMBL7306686 0.77 THRA (0.36) THRATHRBPDE3BPDE3ACASP6
SCHEMBL7318251 0.76 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1KMT2A

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed