SCHEMBL21970972

SCHEMBL21970972

CCC(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.50
EPHX1 P07099 1/20 0.50
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR119 Q8TDV5 4/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
DPP4 P27487 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NR1H2 P55055 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL21579340 0.90 HPGD (0.47) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22441472 0.85 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL24170528 0.84 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL6152125 0.84 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL7141622 0.83 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL24668152 0.83 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL408862 0.82 HPGD (0.58) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL21783713 0.81 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL18403060 0.81 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL32671892 0.81 HPGD (0.57) HPGDRECQLEPHX1USP2SMN1; SMN2

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-3439477-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed