SCHEMBL27744780

SCHEMBL27744780

C=CC(OC(C)OC)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
EPHX1 P07099 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CASR P41180 1/20 0.32
MC4R P32245 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
SCHEMBL8418591 0.92 ALDH1A1 (0.36) KDM4EMAPTHPGDCYP3A4ALDH1A1
SCHEMBL8419728 0.90 KDM4E (0.37) KDM4EMAPTHPGDCYP3A4ALDH1A1
SCHEMBL22654305 0.85 ALDH1A1 (0.33) KDM4EMAPTHPGDCYP3A4ALDH1A1
SCHEMBL15209920 0.84 ALDH1A1 (0.36) KDM4EMAPTHPGDCYP3A4ALDH1A1
SCHEMBL16308021 0.84 KDM4E (0.40) KDM4EMAPTHPGDCYP3A4ALDH1A1
SCHEMBL194133 0.84 KDM4E (0.40) KDM4EMAPTHPGDCYP3A4ALDH1A1
SCHEMBL252297 0.83 CYP3A4 (0.37) KDM4EMAPTHPGDCYP3A4ALDH1A1
SCHEMBL28776501 0.82 LMNA (0.35) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL3298577 0.81 ALDH1A1 (0.34) KDM4EMAPTHPGDCYP3A4ALDH1A1
SCHEMBL8708905 0.81 LMNA (0.39) KDM4EHPGDCYP3A4ALDH1A1ALOX15

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-102781911-B Latent acids and their use BASF SE 2015-07-22 CN disclosed
CN-102781911-A Latent acids and their use BASF SE 2012-11-14 CN disclosed
CN-100475798-C Sulfonate derivatives and the use therof as latent acids CIBA SC HOLDING AG (CH) 2009-04-08 CN disclosed