SCHEMBL7538516

SCHEMBL7538516

C=C(C)C(=O)OCCO.C=Cc1ccccc1C=C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 4/20 0.40
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
ELANE P08246 1/20 0.36
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
PLIN1 O60240 1/20 0.33
LMNA P02545 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
CASP1 P29466 1/20 0.32

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
Styrene SCHEMBL28069493 0.93 POLB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL641784 0.92 THRB (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL2945109 0.91 MAPT (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL28069492 0.91 TSHR (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL28662070 0.89 TDP1 (0.41) THRBPOLBAPEX1HTTTDP1
Methacrylic Acid SCHEMBL8623247 0.88 MAPT (0.41) THRBPOLBAPEX1HTTTDP1
Methacrylic Acid SCHEMBL8623848 0.88 ALDH1A1 (0.37) THRBPOLBAPEX1HTTTDP1
SCHEMBL28944949 0.88 PTGS2 (0.39) THRBPOLBAPEX1HTTTDP1
Ethylene Glycol SCHEMBL4420998 0.88 TSHR (0.36) THRBPOLBAPEX1HTTTDP1
SCHEMBL28191642 0.88 TSHR (0.47) THRBPOLBAPEX1HTTTDP1

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-105777971-A Preparation method of composite porous organic carrier 中国石油天然气股份有限公司 2016-07-20 CN disclosed
CN-105777972-A Preparation method of modified porous organic carrier 中国石油天然气股份有限公司 2016-07-20 CN disclosed
WO-2002041987-A2 POLYMERIC MICROSPHERES TUFTS UNIVERSITY (US) 2002-05-30 WO disclosed