SCHEMBL8512382

SCHEMBL8512382

C=CC(=O)OC(C)CC=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
PAM P19021 1/20 0.44
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.39
CTSC P53634 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.38
MAOB P27338 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL678472 0.86 MEN1 (0.42) HTR2APAMMEN1KMT2AALDH1A1
SCHEMBL29021115 0.82 HTR2A (0.56) HTR2APAMGRIK1GRIK2MEN1
SCHEMBL3791375 0.81 HTR2A (0.47) HTR2APAMGRIK1GRIK2MEN1
SCHEMBL25019357 0.79 KMT2A (0.55) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL28671566 0.79 KMT2A (0.55) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL28879203 0.79 HTR2A (0.49) HTR2APAMGRIK1GRIK2CTSC
SCHEMBL5875617 0.77 CYP1A2 (0.44) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL9646933 0.76 CTSK (0.47) MEN1KMT2ATHRB
SCHEMBL4940542 0.76 NPC1 (0.40) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL9789627 0.76 AKR1B10 (0.50) MEN1KMT2AALDH1A1LMNAL3MBTL1

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
US-8975327-B2 Controlling morphology of block copolymers DOW CORNING CORPORATION (US) 2015-03-10 US disclosed
EP-2643413-A1 CONTROLLING MORPHOLOGY OF BLOCK COPOLYMERS Dow Corning Corporation (US) 2013-10-02 EP disclosed
US-20130231438-A1 Controlling Morphology of Block Copolymers DOW CORNING CORPORATION (US) 2013-09-05 US disclosed
WO-2012071330-A1 CONTROLLING MORPHOLOGY OF BLOCK COPOLYMERS DOW CORNING CORPORATION (US) 2012-05-31 WO disclosed