SCHEMBL3883554

SCHEMBL3883554

CCc1ccc(CC2(C(=O)O)C=CC(c3ccc(O)cc3)=CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
EGFR P00533 1/20 0.33
GAA P10253 4/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DEGS1 O15121 1/20 0.32

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
SCHEMBL6135426 0.91 GRIN2B (0.35) ALDH1A1S1PR1S1PR5GAAMAPT
SCHEMBL2157193 0.74 SMN1; SMN2 (0.33) ALDH1A1MAPTPOLBMEN1HPGD
SCHEMBL28625433 0.70 HPGD (0.33) ALDH1A1GAAPOLBHPGDL3MBTL1
SCHEMBL31559989 0.70 APP (0.34) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL10245182 0.69 TAAR1 (0.33) EGFRGAAPOLBMAPK1L3MBTL1
SCHEMBL27902585 0.69 MMP2 (0.35) ALDH1A1POLBHTT
SCHEMBL27630130 0.69 PTPN1 (0.33) FFAR1
SCHEMBL21043747 0.69 PSEN1 (0.33) ALDH1A1USP2HPGDMAPK1HSD17B10
SCHEMBL4181879 0.68 MMP2 (0.37) ALDH1A1HTT
SCHEMBL5718581 0.68 MAPT (0.30) MAPT

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
EP-1430025-B1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION ZHU DEXU (CN) 2009-01-14 EP disclosed