SCHEMBL27581126

SCHEMBL27581126

CCCC(=O)Oc1cc(Cl)c(NC(=O)c2nn(Cc3ccc(OC)cc3)c3ccccc23)cc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 8/20 0.51
▸ CNR1 P21554 2/20 0.44
▸ BUB1 O43683 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL27596406 0.84 KDM4E (0.47) KDM4EALDH1A1HSD17B10RIPK1
SCHEMBL2430353 0.83 PTGER4 (0.53) PTGER4CNR1BUB1POLBMAPT
SCHEMBL14592697 0.83 PTGER4 (0.51) PTGER4CNR1BUB1POLBMAPT
SCHEMBL5369878 0.83 PTGER4 (0.56) PTGER4CNR1BUB1POLBMAPT
SCHEMBL27581128 0.74 ITGB1 (0.46) MAPTKDM4EALDH1A1HPGDCNR2
SCHEMBL27578696 0.74 LMNA (0.41) PTGER4POLBMAPTKDM4EALDH1A1
SCHEMBL27578801 0.73 KDM4E (0.48) POLBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL3428359 0.72 PTGER4 (0.66) PTGER4CNR1POLBMAPTCNR2
SCHEMBL2433523 0.72 PTGER4 (0.68) PTGER4CNR1BUB1CNR2
SCHEMBL1219481 0.71 PTGER4 (0.88) PTGER4CNR1POLBKDM4ECNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 — — CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 — — CN disclosed
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 — — CN disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 — — CN disclosed
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