SCHEMBL8318616

SCHEMBL8318616

O=C(O)COc1ccc(CC(=O)N2CCC(C3CCNCC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
GPR183 P32249 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TPSAB1 Q15661 3/20 0.49
TPSD1 Q9BZJ3 3/20 0.49
TPSG1 Q9NRR2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
PLAU P00749 1/20 0.46
PRSS1 P07477 1/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8463058 0.85 L3MBTL3 (0.57) GAAMEN1KMT2ATPSAB1TPSD1
SCHEMBL8325925 0.74 THRB (0.44) GAAGPR183KMT2ARAB9AMAPT
SCHEMBL15400302 0.72 SIGMAR1 (0.54) GAAMEN1KMT2ATPSAB1TPSD1
SCHEMBL27382331 0.72 SIGMAR1 (0.59) GAAMEN1KMT2ATPSAB1TPSD1
SCHEMBL7402423 0.72 USP2 (0.54) USP2GAAGPR183MEN1KMT2A
Hydrochloric Acid SCHEMBL7358202 0.72 MAPK1 (0.51) USP2GAAMEN1KMT2ATPSAB1
SCHEMBL9832704 0.70 ALOX15 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3673014 0.70 SMN1; SMN2 (0.58) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL9058915 0.70 MAPT (0.46) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL13801429 0.70 ITGB3 (0.69) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed