SCHEMBL4415025

SCHEMBL4415025

O=C(O)Cn1ccc2c(C(=O)NCCNC(CC(c3ccccc3)c3ccccc3)C(=O)c3ccccc3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.38
ROCK1 Q13464 1/20 0.37
F10 P00742 2/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
SCHEMBL4414234 0.89 KMT2A (0.51) KMT2AALDH1A1F10MAPTLMNA
SCHEMBL3164868 0.79 PTGDR2 (0.40) KMT2AALDH1A1ROCK1EPHX2MAPT
SCHEMBL4413853 0.79 CREBBP (0.49) KMT2AALDH1A1F10EPHX2MAPT
SCHEMBL4420768 0.77 HDAC1 (0.47) KMT2AEPHX2HDAC3HDAC1
SCHEMBL4424045 0.75 MCL1 (0.48) KMT2AALDH1A1KDM4E
SCHEMBL4426339 0.72 MEN1 (0.49) KMT2AHDAC3HDAC1
SCHEMBL3165167 0.72 PTGDR2 (0.44) KMT2AALDH1A1EPHX2MAPTLMNA
SCHEMBL4272168 0.71 EPHX2 (0.37) EPHX2PPARGPPARA
SCHEMBL12678728 0.69 POLB (0.45) ALDH1A1EPHX2MAPTLMNAKDM4E
SCHEMBL4425054 0.67 GPR52 (0.36) EPHX2MAPTLMNA

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