SCHEMBL9185259

SCHEMBL9185259

C=COc1cccc(C(C)(C)C)c1OC=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALDH1A1 P00352 7/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
KDM4E B2RXH2 3/20 0.30
GAA P10253 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL4838631 0.81 ADRA2B (0.33) ADRA2BADRA2C
SCHEMBL5611771 0.76 SCN4A (0.33) CA2ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL7711448 0.74 ALDH1A1 (0.37) TDP1ALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL15911739 0.74 ALDH1A1 (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL29012836 0.74 ADRA2B (0.36) CA2TDP1ATMALDH1A1TSHR
SCHEMBL6527778 0.74 ADRA2B (0.36) CA2TDP1ATMALDH1A1TSHR
SCHEMBL25059139 0.71 SMN1; SMN2 (0.48) CA2ALDH1A1ALOX12CYP1A2HSD17B10
SCHEMBL10650288 0.70 CA2 (0.48) CA2TDP1ATMGABRA1GABRB2
SCHEMBL25296963 0.69 CA2 (0.43) CA2TDP1GABRA1GABRB2ALDH1A1
SCHEMBL31438691 0.69 SMN1; SMN2 (0.47) CA2ALDH1A1ALOX12CYP1A2HSD17B10

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
EP-0463862-B1 Aromatic vinyl ether compounds and compositions, and method of making the same LOCTITE CORP (US) 1995-08-09 EP disclosed
EP-0463862-A2 Aromatic vinyl ether compounds and compositions, and method of making the same LOCTITE CORPORATION (US) 1992-01-02 EP disclosed
US-5070117-A COATINGS, ADHESIVES, SEALS LOCTITE CORPORATION (US) 1991-12-03 US disclosed
US-5004842-A Aromatic vinyl ether compounds and compositions, and method of making the same LOCTITE CORPORATION (US) 1991-04-02 US disclosed