SCHEMBL28043030

SCHEMBL28043030

CC[CH]c1cccc(C=CC2(O)CCCCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.34
CCR6 P51684 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
APP P05067 2/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATM Q13315 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
SCHEMBL15461606 0.77 SLC6A2 (0.33)
SCHEMBL4849500 0.77 MAOB (0.39) ALDH1A1SMN1; SMN2
SCHEMBL15946040 0.75 SLC6A2 (0.32)
SCHEMBL15946041 0.75 SLC6A2 (0.32)
SCHEMBL15576237 0.75 SLC6A2 (0.32)
SCHEMBL27836357 0.74 HMGCR (0.32) HMGCR
SCHEMBL4161502 0.73 HMGCR (0.42) HMGCR
SCHEMBL4185693 0.73 HMGCR (0.42) HMGCR
SCHEMBL4161500 0.73 HMGCR (0.42) HMGCR
SCHEMBL4185690 0.73 HMGCR (0.42) HMGCR

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-102197023-B Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-12-16 CN disclosed