SCHEMBL7380755

SCHEMBL7380755

CC(C)C(C(=O)OC1CC(=O)NC1=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.39
CREBBP Q92793 6/20 0.38
BRD4 O60885 5/20 0.38
DDB1 Q16531 3/20 0.37
CRBN Q96SW2 3/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL7385948 0.86 CYP19A1 (0.41) KMT2ARAB9ACREBBPBRD4DDB1
SCHEMBL7385463 0.84 DDB1 (0.34) KMT2ADDB1CRBNGPBAR1HSD17B10
SCHEMBL7378937 0.81 KCNQ2 (0.40) KMT2AHSD17B10TP53GAACYP1A2
SCHEMBL7379863 0.81 MEN1 (0.44) KMT2AGAAMAPK1
SCHEMBL7381326 0.81 MEN1 (0.44) KMT2AGAAMAPK1
SCHEMBL6667157 0.79 HCAR2 (0.43) RAB9ACREBBPBRD4DDB1CRBN
SCHEMBL7383592 0.79 CHRM2 (0.39) KMT2ARAB9ADDB1CRBNCYP1A2
SCHEMBL7385425 0.79 KCNQ2 (0.39) KMT2ACREBBPBRD4CYP1A2TSHR
SCHEMBL7270134 0.77 MAP3K14 (0.33) KMT2ADDB1CRBN
SCHEMBL9249468 0.77 MAP3K14 (0.35) KMT2ADDB1CRBNGAATSHR

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