SCHEMBL28897690

SCHEMBL28897690

c1ccc(CC(CCC2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
BCHE P06276 1/20 0.41
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 4/20 0.37
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL29144770 0.84 METAP1 (0.31) SIGMAR1BCHE
SCHEMBL9346838 0.79 EPHX1 (0.43) SIGMAR1MAOAMMEACECPA1
SCHEMBL522762 0.78 ALDH1A1 (0.47) SIGMAR1TDP1EPHX2MAOA
SCHEMBL16191154 0.78 TDP1 (0.43) SIGMAR1TDP1NPC1EPHX2
SCHEMBL10790860 0.77 BCHE (0.43) SIGMAR1BCHEMEN1KMT2ATDP1
SCHEMBL2990994 0.76 METAP1 (0.44) SIGMAR1
SCHEMBL6949944 0.76 TDP1 (0.38) SIGMAR1TDP1EPHX2MMEACE
SCHEMBL28762979 0.76
SCHEMBL10479653 0.75 BCHE (0.40) BCHENPC1RAB9AEPHX2
SCHEMBL7368102 0.74 EPHX1 (0.46) SIGMAR1TDP1MAOA

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-111440261-B Sterilizable articles made from propylene copolymers 巴塞尔聚烯烃意大利有限公司 2022-11-25 CN disclosed