SCHEMBL4543058

SCHEMBL4543058

O=C(NCC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.55
MAPT P10636 7/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
KDM4E B2RXH2 1/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
FAAH O00519 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
SCHEMBL4542474 0.94 USP30 (0.58) USP30MAPTKMT2AMEN1HTT
SCHEMBL4537172 0.89 USP30 (0.55) USP30MAPTKMT2AMEN1HTT
SCHEMBL4535612 0.88 FAAH (0.58) MAPTKMT2AMEN1LMNATP53
SCHEMBL4535382 0.86 EPHX2 (0.59) EPHX2
SCHEMBL4538182 0.83 USP30 (0.47) USP30KMT2AMEN1HTTLMNA
SCHEMBL4541187 0.82 KDM4E (0.50) USP30MAPTKMT2AMEN1HTT
SCHEMBL4541042 0.82 FAAH (0.53) USP30MAPTKMT2AMEN1TP53
SCHEMBL4542312 0.81 EPHX2 (0.61) USP30EPHX2
SCHEMBL4543056 0.78 EPHX1 (0.57) USP30EPHX1EPHX2
SCHEMBL4537737 0.78 KMT2A (0.60) MAPTKMT2AMEN1HTTLMNA

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed