SCHEMBL16626807

SCHEMBL16626807

CCC(C)(C)OC(=O)c1ccc(C(C)(C)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ELANE P08246 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL18557679 0.90 CYP1A2 (0.42) EPHX2NR1H4ELANETRPV1TDP1
SCHEMBL19217953 0.89 CA12 (0.40) EPHX2NR1H4ELANETRPV1TDP1
SCHEMBL16578024 0.85 MAPT (0.45) EPHX2NR1H4ELANETDP1MAPT
SCHEMBL12352797 0.82 ELANE (0.48) EPHX2NR1H4ELANETDP1MAPT
SCHEMBL5366422 0.81 CYP1A2 (0.49) ELANETDP1MAPTCYP1A2CYP2D6
SCHEMBL11888430 0.80 CA1 (0.48) EPHX2NR1H4TDP1MAPTL3MBTL1
SCHEMBL24973109 0.80 MEN1 (0.39) MAPTCYP1A2ALDH1A1HSD17B10PPARG
SCHEMBL12085817 0.79 TRPV1 (0.38) EPHX2NR1H4ELANETRPV1TDP1
SCHEMBL12352685 0.79 MAPT (0.46) EPHX2NR1H4ELANETDP1MAPT
SCHEMBL12832692 0.79 ELANE (0.59) ELANETDP1MAPTHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051128-A1 POLYDIORGANOSILOXANE-POLYCARBONATE BLOCK COPOLYMERS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-04-09 WO disclosed