SCHEMBL3636639

SCHEMBL3636639

CC(C)(C)c1ccccc1O[C]=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCHE P06276 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
NAMPT P43490 1/20 0.39
MAPT P10636 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
RBP4 P02753 2/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL8975598 0.81 TDP1 (0.42) TDP1ATMALDH1A1KDM4EGAA
SCHEMBL30003749 0.79 TDP1 (0.41) TDP1ATMALDH1A1KDM4EGAA
SCHEMBL2096503 0.79 PPARG (0.41) TDP1ALDH1A1KDM4EGAARXRA
SCHEMBL8983336 0.79 TSHR (0.31) TSHRLMNA
SCHEMBL3826953 0.79 TDP1 (0.41) TDP1ATMALDH1A1KDM4EGAA
SCHEMBL6874916 0.79 TDP1 (0.41) TDP1ATMALDH1A1KDM4EGAA
SCHEMBL17746780 0.77 CA2 (0.43) TDP1ALDH1A1GAATSHRNPSR1
SCHEMBL6571065 0.77 CA1 (0.38) TDP1ALDH1A1GAATSHRCA2
SCHEMBL2094129 0.76 RXRA (0.33) RXRARXRBRXRG
SCHEMBL127278 0.75 ALDH1A1 (0.48) TDP1ATMALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160396-A2 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS Agilent Technologies, Inc. (US) 2010-03-10 EP disclosed
WO-2008141248-A2 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2008-11-20 WO disclosed
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
US-6794122-B2 DISSOLVING; STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 2004-09-21 US disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 EP disclosed
EP-0042359-B1 PHOSPHONOUS-ACID MONOESTER MONOAMIDE AND ORGANIC POLYMERS STABILIZED THEREWITH CIBA-GEIGY AG (CH) 1984-10-31 EP disclosed
US-4040840-A MEROCYANINE DYE HAVING ISOXAZOLE NUCLEUS AND PYRAZOLINE-5-ONE NUCLEUSN FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 US disclosed
US-4028112-A MEROCYANINE DYE WITH OXAZOLE NUCLEUS FUJI PHOTO FILM CO., LTD. (JA) 1977-06-07 US disclosed