SCHEMBL19736069

SCHEMBL19736069

CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H]2NSC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.39
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
EPHX1 P07099 1/20 0.36
NAMPT P43490 7/20 0.36
HPGD P15428 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
SCHEMBL29715575 0.80 USP2 (0.42) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL20977338 0.80 EPHX1 (0.45) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL20337474 0.79 USP2 (0.41) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL30833164 0.79 USP2 (0.41) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL18392380 0.79 USP2 (0.41) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL18328440 0.79 USP2 (0.41) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL30197470 0.79 USP2 (0.41) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL20460932 0.79 EPHX2 (0.43) USP2SMN1; SMN2EPHX2GPR119EPHX1
SCHEMBL22799063 0.78 USP2 (0.50) USP2SMN1; SMN2RECQLEPHX2GPR119
SCHEMBL4693768 0.78 USP2 (0.50) USP2SMN1; SMN2RECQLEPHX2GPR119

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
EP-3468972-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-05-20 EP disclosed
WO-2017216706-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2017-12-21 WO disclosed