SCHEMBL22545907

SCHEMBL22545907

CC(=O)NC(CCCCNC(=O)c1ccc2[nH]c3ccc(O)cc3c2c1)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 5/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HDAC1 Q13547 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.42
▸ CXCR3 P49682 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ NPY1R P25929 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ CASP3 P42574 1/20 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
SCHEMBL22545910 0.82 HDAC3 (0.50) HDAC1SIRT5CXCR3FOLH1
SCHEMBL22545908 0.75 FOLH1 (0.38) HDAC1SIRT5CXCR3NPY1RFOLH1
SCHEMBL22545937 0.73 CHRM2 (0.48) HDAC1FOLH1
SCHEMBL18725740 0.69 CXCR3 (0.49) CXCR3
SCHEMBL18725733 0.69 CXCR3 (0.49) CXCR3
SCHEMBL4727576 0.64 KDM4E (0.78) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL18742006 0.63 CPB2 (0.60) CXCR3
SCHEMBL18725757 0.63 CPB2 (0.60) CXCR3
SCHEMBL18725756 0.63 CPB2 (0.60) CXCR3
SCHEMBL11545905 0.62 NAAA (0.57) HDAC1FOLH1

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
WO-2020210625-A1 METHODS FOR MODULATING MACROPHAGE ACTIVITY Riptide Bioscience, Inc. (US) 2020-10-15 — — WO disclosed
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