SCHEMBL28186373

SCHEMBL28186373

CC(=CC1(c2ccccc2)CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TSHR P16473 1/20 0.39
FSHR P23945 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1334113 0.79 AKR1C1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL1334112 0.79 AKR1C1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL12922767 0.74 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1HTTTSHR
SCHEMBL873996 0.74 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1HTTTSHR
SCHEMBL16865238 0.74 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1HTTTSHR
SCHEMBL4317881 0.74 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1HTTTSHR
SCHEMBL873995 0.74 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1HTTTSHR
SCHEMBL5289694 0.73 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1HTTTSHR
Ammonia Solution, Strong SCHEMBL27722063 0.73 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1HTTTSHR
SCHEMBL28434697 0.72 ALDH1A1 (0.49) ALDH1A1TSHRMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406654-B Resin composition and molded article using same 三菱瓦斯化学株式会社 2019-03-08 CN disclosed
CN-108603953-A Light diffusing agent, light-diffusing resin composition and formed body 三菱瓦斯化学株式会社 2018-09-28 CN disclosed
CN-107406654-A Resin composition and molded article using same 三菱瓦斯化学株式会社 2017-11-28 CN disclosed