SCHEMBL5575957

SCHEMBL5575957

O=C(CCN1CCCC(=O)N1CCCc1cccc(C(=O)O)c1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.51
PTGER2 P43116 6/20 0.51
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP3 Q96P20 2/20 0.42
NR4A2 P43354 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
EPHX1 P07099 1/20 0.37
DHODH Q02127 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
SCHEMBL4087328 0.91 PTGER4 (0.44) PTGER4PTGER2MEN1KMT2AMRGPRX4
SCHEMBL4087365 0.86 PTGER4 (0.49) PTGER4PTGER2MEN1KMT2ANLRP3
SCHEMBL4081976 0.84 PTGER4 (0.72) PTGER4PTGER2
SCHEMBL27717957 0.84 KMT2A (0.47) PTGER4PTGER2MEN1KMT2AEPHX1
SCHEMBL28771821 0.83 KMT2A (0.48) PTGER4PTGER2MEN1KMT2AEPHX1
SCHEMBL4086039 0.81 PTGER4 (0.42) PTGER4PTGER2MEN1KMT2AHDAC1
SCHEMBL4087358 0.80 PTGER4 (0.55) PTGER4PTGER2MEN1KMT2A
SCHEMBL4087532 0.78 MAOB (0.44) PTGER4PTGER2MEN1KMT2ANR4A2
SCHEMBL4077760 0.78 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL13561187 0.77 MRGPRX4 (0.56) MEN1KMT2ANR4A2MRGPRX4KDM4C

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
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed