SCHEMBL28115578

SCHEMBL28115578

CC(CCc1ccccc1)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 6/20 0.47
TRPA1 O75762 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
ACP3 P15309 1/20 0.44
SLC6A3 Q01959 5/20 0.44
SLC6A2 P23975 4/20 0.44
OPRK1 P41145 4/20 0.44
SLC6A4 P31645 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
ADRA2B P18089 3/20 0.43
ADRA1A P35348 3/20 0.43
TSHR P16473 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
HTR1A P08908 2/20 0.43
ADRA2C P18825 2/20 0.43
HTR2A P28223 2/20 0.43

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
SCHEMBL4785593 0.83 TSHR (0.52) MEN1KMT2AOPRK1TSHRCYP1A2
SCHEMBL506011 0.81 MEN1 (0.53) MEN1KMT2AKCNH2SIGMAR1SLC6A3
SCHEMBL9204712 0.80 TRPA1 (0.41) MEN1KMT2AKCNH2TRPA1ACP3
SCHEMBL16702632 0.80 OPRK1 (0.47) MEN1KMT2AKCNH2SLC6A3SLC6A2
SCHEMBL16702478 0.80 OPRK1 (0.47) MEN1KMT2AKCNH2SLC6A3SLC6A2
SCHEMBL30637704 0.80 OPRK1 (0.47) MEN1KMT2AKCNH2SLC6A3SLC6A2
SCHEMBL29216850 0.80 OPRK1 (0.47) MEN1KMT2AKCNH2TRPA1SLC6A3
SCHEMBL22305164 0.79 TRPA1 (0.50) MEN1KMT2AKCNH2TRPA1SIGMAR1
SCHEMBL6497060 0.78 KCNH2 (0.63) MEN1KMT2AKCNH2SIGMAR1ACP3
SCHEMBL112486 0.78 TRPA1 (0.48) MEN1KMT2AKCNH2TRPA1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103597010-B Stable polyamide 罗地亚运作公司 2017-12-19 CN claimed
CN-106349690-A PA/AS-based resin compound and preparation method thereof 上海金发科技发展有限公司 2017-01-25 CN disclosed