SCHEMBL29274342

SCHEMBL29274342

Brc1ccc2c(c1)OCC=C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.49
HTR2C P28335 1/20 0.41
BLM P54132 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
AHR P35869 3/20 0.40
CYP1A2 P05177 3/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CYP2B6 P20813 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
NPR1 P16066 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CYP1A1 P04798 1/20 0.31

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
SCHEMBL1848748 0.84 AHR (0.45) STSHTR2CBLMLMNAMAPT
SCHEMBL29273956 0.79 BLM (0.44) STSHTR2CBLMLMNAMAPT
SCHEMBL4150416 0.76 STS (0.49) STSHTR2CCYP1A2CA9CA12
SCHEMBL29771885 0.76 STS (0.49) STSCA9CA12CA2CYP2B6
SCHEMBL30065900 0.76 STS (0.53) STSLMNAMAPTCYP1A2CA9
SCHEMBL2011444 0.76 STS (0.49) STSCYP1A2CA9CYP2B6CA1
SCHEMBL276961 0.76 STS (0.53) STSCYP1A2CA9CA12CYP2B6
SCHEMBL547263 0.76 STS (0.49) STSCA9CA12CA2CYP2B6
SCHEMBL5537604 0.76 STS (0.49) STSCYP1A2CA9CYP2B6CA1
SCHEMBL10426769 0.76 STS (0.53) STSLMNAMAPTCYP1A2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283870-B Coumarin-based chemiluminescent probe and preparation method and application thereof 湖北南博生物工程有限公司 2024-02-20 CN disclosed
CN-114409680-B PPAR agonists and uses thereof 上海怡立舍生物技术有限公司 2023-11-21 CN disclosed
CN-116283870-A Coumarin-based chemiluminescent probe and preparation method and application thereof 湖北南博生物工程有限公司 2023-06-23 CN disclosed
CN-114853814-A Plasmin inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2022-08-05 CN disclosed