SCHEMBL8523243

SCHEMBL8523243

Cc1cc(OCC(=O)O)ccc1NC(=O)N1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PIK3CA P42336 2/20 0.44
PRKDC P78527 2/20 0.44
MTOR P42345 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 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
SCHEMBL8666469 0.90 MAPT (0.44) GPR119MEN1KMT2AALDH1A1PIK3CA
SCHEMBL8325925 0.85 THRB (0.44) KMT2AMAPTGAAPTPN2PTPN1
SCHEMBL8666467 0.84 SMN1; SMN2 (0.45) GPR119MEN1KMT2AALDH1A1PIK3CA
SCHEMBL8605663 0.79 GPR119 (0.39) GPR119KMT2AALDH1A1PIK3CAPRKDC
SCHEMBL8662409 0.79 MAPT (0.54) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL7452056 0.77 MCL1 (0.52) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL8321803 0.77 HDAC8 (0.41) GPR119MEN1KMT2ATP53MAPT
SCHEMBL6189754 0.74 GPR119 (0.64) GPR119ALDH1A1
SCHEMBL8664948 0.73 TP53 (0.48) GPR119KMT2AALDH1A1PIK3CAPRKDC
SCHEMBL1222027 0.71 KMT2A (0.57) GPR119MEN1KMT2AMAPTGAA

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
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
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed