SCHEMBL7385158

SCHEMBL7385158

CCC(C(=O)OC1CC(=O)NC1=O)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
DDB1 Q16531 4/20 0.39
CRBN Q96SW2 4/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7381326 0.83 MEN1 (0.44) GAAALDH1A1LMNAMAPK1POLB
SCHEMBL7384136 0.83 MEN1 (0.44) GAAALDH1A1LMNAMAPK1POLB
SCHEMBL7379863 0.83 MEN1 (0.44) GAAALDH1A1LMNAMAPK1POLB
SCHEMBL7468058 0.81 LMNA (0.37) HSD17B10TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7384543 0.80 MTNR1A (0.40) TP53DDB1CRBN
SCHEMBL7381276 0.80 GAA (0.42) TSHRGAADDB1CRBNMAPT
SCHEMBL7387023 0.79 KCNQ2 (0.45) DDB1CRBNPOLBL3MBTL1KDM4E
SCHEMBL7383592 0.76 CHRM2 (0.39) TSHRCYP1A2CYP2C19DDB1CRBN
SCHEMBL7385425 0.76 KCNQ2 (0.39) TSHRCYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL7378937 0.74 KCNQ2 (0.40) HSD17B10TSHRCYP1A2CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US claimed
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US disclosed