SCHEMBL21926666

SCHEMBL21926666

C=C1C=CCC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN6 P29350 1/20 0.38

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
SCHEMBL16914260 0.84 USP30 (0.43) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL22720245 0.81 USP2 (0.40) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL16914261 0.77 USP30 (0.44) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL29347028 0.76 USP30 (0.46) USP2SMN1; SMN2USP30HDAC1HDAC8
SCHEMBL30577842 0.75 CHRM2 (0.35) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL24089120 0.74 USP2 (0.50) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL30842433 0.74 USP2 (0.50) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL31645855 0.74 GPR119 (0.41) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL23901933 0.74 USP30 (0.42) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL27354197 0.72 NR1H2 (0.41) USP2SMN1; SMN2USP30ATMGPR119

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
EP-3310774-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-04-29 — — EP disclosed
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