SCHEMBL4413853

SCHEMBL4413853

O=C(NCCNC(CC(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1cn(C(=O)O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.49
TNFSF11 O14788 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
EP300 Q09472 1/20 0.38
LMNA P02545 2/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
F10 P00742 1/20 0.36
MAPT P10636 1/20 0.36
TNF P01375 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4414234 0.86 KMT2A (0.51) CREBBPKDM4EALDH1A1KMT2ALMNA
SCHEMBL4421324 0.80 OXER1 (0.41) KDM4EALDH1A1KMT2AEP300HDAC1
SCHEMBL4415025 0.79 KMT2A (0.39) KDM4EALDH1A1KMT2AEPHX2LMNA
SCHEMBL4426339 0.77 MEN1 (0.49) KMT2AEP300HDAC1HDAC2
SCHEMBL3175180 0.77 CREBBP (0.46) CREBBPKDM4EALDH1A1THRBKMT2A
SCHEMBL4420768 0.73 HDAC1 (0.47) KMT2AEPHX2EP300HDAC1HDAC2
SCHEMBL4272168 0.70 EPHX2 (0.37) EPHX2
SCHEMBL4424045 0.69 MCL1 (0.48) KDM4EALDH1A1KMT2A
SCHEMBL4425054 0.68 GPR52 (0.36) EPHX2LMNAMAPT
SCHEMBL28620498 0.67 CREBBP (1.00) CREBBPKDM4EALDH1A1EP300LMNA

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed