SCHEMBL977601

SCHEMBL977601

CC(C)(O)c1cc(-c2ccccc2)cc(C(C)(C)O)c1C(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
CYP2C9 P11712 1/20 0.39
CDK8 P49336 1/20 0.38
CDK5 Q00535 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
RXRA P19793 4/20 0.36
RXRB P28702 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RXRG P48443 2/20 0.35
MMP3 P08254 1/20 0.34
BCL2L1 Q07817 1/20 0.34
ALOX5 P09917 1/20 0.34
PTPN5 P54829 2/20 0.34
PTPN1 P18031 1/20 0.34
LDHA P00338 2/20 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
SCHEMBL28163776 0.79 PGR (0.49) PGRCYP2C9ALDH1A1RXRARXRB
SCHEMBL11904158 0.79 CDK8 (0.36) PGRCYP2C9CDK8CDK5CLK4
SCHEMBL548413 0.78 RXRB (0.46) CYP2C9ALDH1A1CRHBPCRHR2RXRA
SCHEMBL22298399 0.77 CA2 (0.41) PGRCYP2C9ALDH1A1CRHBPCRHR2
SCHEMBL14726912 0.75 PGR (0.45) PGRCYP2C9ALDH1A1CRHBPCRHR2
SCHEMBL26016731 0.74 CA2 (0.38) PGRCYP2C9ALDH1A1CRHBPCRHR2
SCHEMBL20932971 0.73 RXRB (0.55) CYP2C9RXRARXRBRXRG
SCHEMBL426214 0.72 CA2 (0.74) CYP2C9ALDH1A1CRHBPCRHR2CA1
Benzene SCHEMBL29148570 0.72 CA2 (0.74) CYP2C9ALDH1A1CRHBPCRHR2CA1
SCHEMBL4885314 0.72 CA2 (0.46) PGRCDK8CDK5CLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871751-B2 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-01-18 US disclosed
US-20080153031-A1 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-06-26 US disclosed