SCHEMBL8895660

SCHEMBL8895660

CC(C)C[C@H](NC(=O)CC1CCCC1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.46
FOLH1 Q04609 2/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
MME P08473 1/20 0.43
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.42
LAP3 P28838 3/20 0.42

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
SCHEMBL4313039 0.98 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4313036 0.98 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4134832 0.86 CNR2 (0.43) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL8895540 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4145751 0.84 PSEN1 (0.44) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4313026 0.83 BCHE (0.49) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4313021 0.83 BCHE (0.49) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4317981 0.81 BCHE (0.50) ALDH1A1KMT2AMEN1LMNAFOLH1
SCHEMBL4317976 0.81 BCHE (0.50) ALDH1A1KMT2AMEN1LMNAFOLH1
SCHEMBL4058648 0.81 SMN1; SMN2 (0.42) KMT2ALMNAGRNSORT1EPHX1

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
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
EP-0584374-B1 PEPTIDE WHICH INHIBITS PHOSPHOLIPASE C KYOWA HAKKO KOGYO KK (JP) 1997-09-24 EP disclosed