SCHEMBL8918786

SCHEMBL8918786

CCOC(=O)CC(CCc1ccc(C#N)cc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRB P23467 1/20 0.40
ACP1 P24666 1/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 1/20 0.39
CYP2A6 P11509 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP14 P54578 1/20 0.38
FFAR1 O14842 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL4506493 0.78 CYP4F2 (0.66) CYP4F2CYP4A11TSHRHSD17B10CYP2A6
Hydrochloric Acid SCHEMBL8917807 0.78 F10 (0.53) CYP4F2CYP4A11PTPN1PTPRBACP1
SCHEMBL2295671 0.77 CYP4Z1 (0.39) MEN1KMT2ACYP4F2CYP4A11TSHR
Hydrochloric Acid SCHEMBL8917823 0.77 PTPN1 (0.40) CYP4F2CYP4A11PTPN1PTPRBACP1
SCHEMBL5329841 0.76 MEN1 (0.43) MEN1KMT2APTPN1PTPRBACP1
SCHEMBL8466268 0.75 CYP4Z1 (0.54) CYP4F2CYP4A11TSHRHSD17B10CYP2A6
SCHEMBL2289975 0.75 CYP4Z1 (0.37) CYP4F2CYP4A11TSHRHSD17B10TDP1
SCHEMBL4801215 0.74 CYP2A6 (0.50) CYP4F2CYP4A11TSHRHSD17B10CYP2A6
Ethyl Propionate SCHEMBL23581114 0.74 CYP4F2 (0.45) CYP4F2CYP4A11TSHRHSD17B10CYP2A6
SCHEMBL8239507 0.74 CYP4Z1 (0.37) CYP4F2CYP4A11TSHRHSD17B10MAPT

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
US-5658935-A USEFUL AS INHIBITORS OF THROMBOCYTE AGGREGATION, THE METASTASIS OF CARCINOMA CELLS AND THE BINDING OF OSTEOCLASTS ON BONE SURFACES HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed