SCHEMBL18545944

SCHEMBL18545944

CC(O)(c1c(O)cccc1O)c1c(O)cccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 3/20 0.44
CA2 P00918 5/20 0.43
HPGD P15428 4/20 0.43
ALOX15 P16050 4/20 0.43
HSD17B10 Q99714 4/20 0.43
LMNA P02545 3/20 0.43
RECQL P46063 3/20 0.43
CA1 P00915 3/20 0.43
EGFR P00533 2/20 0.43
FYN P06241 2/20 0.43
MMP9 P14780 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
CA6 P23280 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL2729698 0.83 TRPA1 (0.46) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL419708 0.80 ALDH1A1 (0.52) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL8964176 0.77 ALDH1A1 (0.47) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL28610617 0.74 TRPA1 (0.38) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL22839343 0.72 ALDH1A1 (0.43) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL9327128 0.72 ALDH1A1 (0.71) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL18535960 0.72 ATM (0.46) TRPA1ATMALDH1A1TSHRCA2
SCHEMBL4503427 0.72 TRPA1 (0.41) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL112587 0.72 TRPA1 (0.58) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL144221 0.72 ALDH1A1 (0.62) TRPA1ATMALDH1A1TDP1TSHR

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
US-9971247-B2 Pattern-forming method OSAKA UNIVERSITY (JP) 2018-05-15 US disclosed
US-20170075221-A1 CHEMICALLY AMPLIFIED RESIST MATERIAL AND RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2017-03-16 US disclosed
US-20170052450-A1 PATTERN-FORMING METHOD OSAKA UNIVERSITY (JP) 2017-02-23 US disclosed