SCHEMBL6573475

SCHEMBL6573475

CC([O])(c1ccccc1)C([O])(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ESR1 P03372 3/20 0.39

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
SCHEMBL4269900 0.80 KCNN4 (0.47) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL207978 0.75 MAPK1 (0.50) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL240161 0.75 MAPK1 (0.50) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL9669699 0.75 MAPK1 (0.50) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL4282051 0.72 KCNN4 (0.41) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL7647641 0.70 TSHR (0.52) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL17078011 0.70 ALDH1A1 (0.52) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL8607709 0.70 MAPT (0.50) MAPK1MAPTKMT2ACYP2C19HIF1A
SCHEMBL28114684 0.70 TSHR (0.52) MAPK1MAPTKMT2AALDH1A1KCNN4
SCHEMBL927239 0.69 MAPK1 (0.50) MAPK1MAPTKMT2ACYP2C19HIF1A

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
EP-0970964-B1 Method for producing a titanium complex SUMITOMO CHEMICAL CO (JP) 2004-04-21 EP disclosed
US-6090961-A Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0970964-A2 Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed