SCHEMBL28293409

SCHEMBL28293409

CC=CC(=O)Oc1c(OCCC)cc(-c2ccc3c(c2-c2cc(OCCC)c(OC(=O)C=CC)c(CC)c2OCCC)Cc2ccccc2-3)c(OCCC)c1CC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
GSTA1 P08263 1/20 0.30
GSTP1 P09211 1/20 0.30
AKR1C3 P42330 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
SCHEMBL28295193 0.94 LTB4R (0.32) NPC1RAB9AFFAR4AKR1C3
SCHEMBL28293476 0.93 PNMT (0.30) NPC1RAB9A
SCHEMBL28033426 0.93 GSTA1 (0.34) NPC1RAB9AFFAR4GSTA1GSTP1
SCHEMBL28033991 0.86 PNMT (0.34) NPC1RAB9AFFAR4GSTA1GSTP1
SCHEMBL28033429 0.84 GABRP (0.34) NPC1RAB9A
SCHEMBL28293410 0.83 NPC1 (0.30) NPC1RAB9A
SCHEMBL28033424 0.81 NPC1 (0.33) NPC1RAB9AGSTA1GSTP1
SCHEMBL28033994 0.79 LMNA (0.39) NPC1RAB9A
SCHEMBL28033427 0.77 PNMT (0.36) NPC1RAB9A
SCHEMBL28293411 0.77 PNMT (0.32)

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
CN-109790258-A Solidification compound and solidfied material AGC株式会社 2019-05-21 CN disclosed