SCHEMBL4410940

SCHEMBL4410940

C=C(C)C(=O)OCc1c2ccccc2c(C)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 5/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ELANE P08246 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.33

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
SCHEMBL16271329 0.93 TSHR (0.41) RAD52ALDH1A1MAPTTSHRKDM4E
SCHEMBL18904514 0.87 MAPT (0.40) RAD52ALDH1A1MAPTTSHRKDM4E
SCHEMBL18904512 0.84 POLB (0.40) RAD52ALDH1A1MAPTCYP1A2TSHR
SCHEMBL16271366 0.83 ELANE (0.37) ALDH1A1MAPTSMN1; SMN2CYP1A2TSHR
SCHEMBL216321 0.83 EPHX1 (0.49) ALDH1A1MAPTCYP1A2TSHRKDM4E
SCHEMBL29625710 0.83 EPHX1 (0.49) ALDH1A1MAPTCYP1A2TSHRKDM4E
SCHEMBL13609813 0.81 KDM4E (0.46) RAD52ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL16271317 0.81 TOP2A (0.41) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL12903610 0.78 EPHX1 (0.39) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL13048901 0.78 EPHX1 (0.45) ALDH1A1MAPTCYP1A2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599427-B1 GLASS SIZING COMPOSITION CELANESE INT CORP (US) 2009-12-16 EP disclosed
US-7087302-B2 Glass sizing composition CELANESE INTERNATIONAL CORPORATION (US) 2006-08-08 US disclosed
EP-1599427-A1 GLASS SIZING COMPOSITION Celanese International Corporation (US) 2005-11-30 EP disclosed
WO-2004076374-A1 GLASS SIZING COMPOSITION CELANESE INTERNATIONAL CORPORATION (US) 2004-09-10 WO disclosed
US-20040166313-A1 Glass sizing composition CELANESE INTERNATIONAL CORPORATION 2004-08-26 US disclosed