SCHEMBL11064228

SCHEMBL11064228

O=C1CC(OCCCCC(=O)N(CCO)c2ccccc2)c2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PAX8 Q06710 2/20 0.37
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CREBBP Q92793 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL11064304 0.79 PDE3B (0.46) ALDH1A1PDE3BPDE3A
SCHEMBL11058595 0.77 PDE3B (0.35) ALDH1A1PDE3BPDE3ALMNAMEN1
SCHEMBL11067714 0.77 PYGL (0.38) ALDH1A1LMNAMEN1KMT2A
SCHEMBL11069573 0.77 RAF1 (0.40) ALDH1A1TP53POLBMEN1KMT2A
SCHEMBL11060616 0.74 PDE3B (0.52) PDE3BPDE3ACREBBP
SCHEMBL11067577 0.74 PDE3B (0.38) ALDH1A1PDE3BPDE3A
SCHEMBL27961997 0.74 ALDH1A1 (0.43) ALDH1A1TP53SMN1; SMN2CREBBPPOLB
SCHEMBL11061198 0.72 MEN1 (0.38) POLBLMNAMEN1KMT2A
SCHEMBL11064332 0.72 PDE3B (0.38) ALDH1A1PDE3BPDE3A
SCHEMBL11067554 0.72 PDE3B (0.73) PDE3BPDE3A

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed