SCHEMBL10175766

SCHEMBL10175766

CCC(C)c1ccc2cc(OCC(=O)OCCC(F)(F)F)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP2C9 P11712 1/20 0.45
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB11 O95342 1/20 0.39
ACACB O00763 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38

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
SCHEMBL12212758 0.88 CYP17A1 (0.53) ALDH1A1TSHRCYP2C19CYP17A1CYP2C9
SCHEMBL2608031 0.85 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C19CYP17A1CYP2C9
SCHEMBL11987554 0.84 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19CYP17A1CYP2C9
SCHEMBL17853797 0.82 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19CYP17A1CYP2C9
SCHEMBL10175854 0.81 AKR1C3 (0.48) ALDH1A1TSHRCYP2C19CYP17A1CYP2C9
SCHEMBL2608037 0.81 AKR1C3 (0.48) ALDH1A1TSHRCYP2C19CYP17A1CYP2C9
SCHEMBL14119015 0.80 ALDH1A1 (0.51) ALDH1A1TSHRCYP2C19CYP17A1CYP2C9
SCHEMBL12599398 0.79 CYP2C9 (0.43) ALDH1A1TSHRCYP2C19CYP17A1CYP2C9
SCHEMBL10330479 0.77 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL2608039 0.76 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170351176-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANK INCLUDING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-12-07 US disclosed
US-8771921-B2 Negative resist composition, method of forming resist pattern and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2014-07-08 US disclosed
US-8642244-B2 Resist composition for immersion exposure, method of forming resist pattern using the same, and fluorine-containing compound TOKYO OHKA KOGYO CO., LTD. (JP) 2014-02-04 US disclosed
US-8501387-B2 2013-08-06 US disclosed
US-20120164581-A1 NEGATIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND POLYMERIC COMPOUND SHO ABE (JP) 2012-06-28 US disclosed
US-20120077125-A1 RESIST COMPOSITION FOR IMMERSION EXPOSURE, METHOD OF FORMING RESIST PATTERN USING THE SAME, AND FLUORINE-CONTAINING COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-03-29 US disclosed