SCHEMBL9035670

SCHEMBL9035670

CCN(CC)CCCCN(CC1CCCCCCC1)C(=O)CCCCOc1ccc2c(ccc(=O)n2OC(=O)C(=O)On2c(=O)ccc3cc(OCCCCC(=O)N(CCCCN(CC)CC)CC4CCCCCCC4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.41
PDE3A Q14432 11/20 0.41
P2RY12 Q9H244 10/20 0.41
PDE2A O00408 8/20 0.41
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PDE5A O76074 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PTAFR P25105 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9035070 0.98 PDE3B (0.41) PDE3BPDE3AP2RY12PDE2ABCHE
SCHEMBL9035659 0.85 MEN1 (0.36) PDE3BPDE3AP2RY12PDE2AKDM4E
Oxalic Acid SCHEMBL9035663 0.79 PDE3B (0.58) PDE3BPDE3AP2RY12PDE2ABCHE
Oxalic Acid SCHEMBL9035067 0.77 PDE3B (0.58) PDE3BPDE3AP2RY12PDE2ABCHE
SCHEMBL9035287 0.77 PDE3B (0.61) PDE3BPDE3AP2RY12PDE2ABCHE
SCHEMBL9036166 0.75 PDE3B (0.39) PDE3BPDE3AP2RY12PDE2AMAOB
SCHEMBL9283568 0.72 PDE3B (0.58) PDE3BPDE3AP2RY12PDE2ABCHE
SCHEMBL9035517 0.71 PDE3B (0.55) PDE3BPDE3AP2RY12PDE2ABCHE
SCHEMBL9036967 0.69 PDE3B (0.58) PDE3BPDE3AP2RY12PDE2ABCHE
Oxalic Acid SCHEMBL9036161 0.69 PDE3B (0.59) PDE3BPDE3AMEN1ALDH1A1CYP1A2

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-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed