SCHEMBL4424045

SCHEMBL4424045

O=C(O)Cn1cc(CCCNC(CC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.48
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.41
TBXAS1 P24557 1/20 0.41
MEN1 O00255 1/20 0.40
STAT3 P40763 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL4421324 0.87 OXER1 (0.41) MCL1ALDH1A1KMT2APOLBMEN1
SCHEMBL4414234 0.82 KMT2A (0.51) ALDH1A1KMT2APOLBPTGDR2KDM4E
SCHEMBL3166032 0.76 PTGDR2 (0.50) MCL1ALDH1A1KMT2APOLBTBXAS1
SCHEMBL4415025 0.75 KMT2A (0.39) ALDH1A1KMT2AKDM4E
SCHEMBL4271051 0.74 L3MBTL1 (0.41) POLBTBXAS1PTGDR2
SCHEMBL4274206 0.71 HRH1 (0.36)
SCHEMBL8021536 0.71 MCL1 (0.60) MCL1ALDH1A1KMT2ATBXAS1STAT3
SCHEMBL698228 0.70 KCNA5 (0.64) MCL1ALDH1A1KMT2ATBXAS1PTGDR2
SCHEMBL4413853 0.69 CREBBP (0.49) ALDH1A1KMT2AKDM4E
SCHEMBL1520240 0.69 TBXAS1 (0.64) MCL1ALDH1A1KMT2ATBXAS1STAT3

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