SCHEMBL4560055

SCHEMBL4560055

NCCON(OCCN)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
LTA4H P09960 2/20 0.45
PLA2G2A P14555 1/20 0.45
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
TRPM2 O94759 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KIF11 P52732 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4560736 0.87 ADRA2C (0.40) TAAR1KDM4EMAPK1HPGDMEN1
SCHEMBL5830750 0.78 LTA4H (0.47) LTA4HMAPK1ALDH1A1CYP1A2CYP3A4
Propylamine SCHEMBL27621937 0.78 LTA4H (0.41) LTA4HKDM4EMAPK1MEN1ALDH1A1
SCHEMBL104212 0.77 ALDH1A1 (0.46) KDM4EMEN1ALDH1A1TSHRKMT2A
SCHEMBL11575309 0.77 LMNA (0.39) LTA4HKDM4EHPGDMEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL28490309 0.76 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1TSHRKMT2A
Hydrochloric Acid SCHEMBL28957292 0.76 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1TSHRKMT2A
SCHEMBL2575461 0.74 ALDH1A1 (0.39) LTA4HKDM4EMEN1ALDH1A1TSHR
SCHEMBL1953867 0.71 ALDH1A1 (0.40) LTA4HKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL11072425 0.71 NPSR1 (0.37) LTA4HKDM4EHPGDMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111236-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-10-28 EP claimed
WO-2008087017-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 WO claimed