SCHEMBL20157098

SCHEMBL20157098

C=Cc1ccc(C(=C)N(CC)CCC)cc1C(=C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL28559337 0.76 SORT1 (0.32)
SCHEMBL20157110 0.72 HPGD (0.36) ALDH1A1LMNAKDM4EHPGDTP53
SCHEMBL22538519 0.70 KCNH2 (0.38) ALDH1A1LMNAHPGDTP53
SCHEMBL20157023 0.68 TP53 (0.35) ALDH1A1LMNAKDM4EHPGDTP53
SCHEMBL25938941 0.65 APP (0.37) ALDH1A1
SCHEMBL25940821 0.65 CASP1 (0.33) ALDH1A1LMNAKDM4EHPGD
SCHEMBL20156934 0.63 HPGD (0.40) ALDH1A1LMNAKDM4EHPGDTP53
SCHEMBL8282807 0.62 MLYCD (0.39) ALDH1A1LMNAHPGDTP53
SCHEMBL28575095 0.62 SORT1 (0.32)
SCHEMBL23864603 0.62 MAPT (0.30)

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed