SCHEMBL28977321

SCHEMBL28977321

CC=CCc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.53
MAOB P27338 3/20 0.46
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CHRNA7 P36544 1/20 0.39
MAOA P21397 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ARG2 P78540 1/20 0.37
TOP1 P11387 1/20 0.35
POLB P06746 1/20 0.35
CTSK P43235 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2938308 0.81 MAOB (0.70) SLC6A4MAOBMAOACA1CA2
Benzene SCHEMBL1226362 0.81 MAOB (0.70) SLC6A4MAOBMAOACA1CA2
Benzene SCHEMBL1226361 0.81 MAOB (0.70) SLC6A4MAOBMAOACA1CA2
SCHEMBL40701 0.81 MAOB (0.70) SLC6A4MAOBMAOACA1CA2
SCHEMBL105172 0.81 MAOB (0.70) SLC6A4MAOBMAOACA1CA2
SCHEMBL3825516 0.78 SLC6A4 (0.48) SLC6A4MAOBHTR2CHTR6ALDH1A1
Butane SCHEMBL28785258 0.75 MAOB (0.61) SLC6A4MAOBALDH1A1MAOACA1
Bicarbonate SCHEMBL32684914 0.74 MAOB (0.58) MAOBALDH1A1CA1CA2ARG2
SCHEMBL28977325 0.73 LTA4H (0.52) MAOBMAOA
SCHEMBL7175029 0.73 ALDH1A1 (0.47) MAOBALDH1A1CA1CA2ARG2

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-115894315-A High-refraction monomer and preparation method and application thereof 深圳市首骋新材料科技有限公司 2023-04-04 CN disclosed