SCHEMBL30005896

SCHEMBL30005896

CC(C)(C)OC(=O)N1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 5/20 0.46
POLB P06746 1/20 0.44
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL15804316 0.95 MEN1 (0.49) STSMEN1KMT2ADRD2POLB
SCHEMBL3119720 0.92 STS (0.45) STSMEN1KMT2ADRD2POLB
SCHEMBL3385458 0.91 MEN1 (0.43) STSMEN1KMT2ADRD2POLB
SCHEMBL29892887 0.87 STS (0.50) STSMEN1KMT2ADRD2POLB
SCHEMBL3028439 0.87 STS (0.50) STSMEN1KMT2ADRD2POLB
SCHEMBL15804317 0.87 MEN1 (0.45) STSMEN1KMT2ADRD2POLB
SCHEMBL21143968 0.86 DRD2 (0.46) MEN1KMT2ADRD2POLBOPRD1
SCHEMBL557597 0.86 DRD2 (0.61) STSMEN1KMT2ADRD2SMN1; SMN2
SCHEMBL20744372 0.86 JAK2 (0.46) STSMEN1KMT2ADRD2POLB
SCHEMBL2425082 0.84 RORC (0.41) STSMEN1KMT2ADRD2

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
WO-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed