SCHEMBL21396924

SCHEMBL21396924

COC(C(=O)C1CCCCC1)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ENPP3 O14638 2/20 0.32
ENPP1 P22413 2/20 0.32
TSHR P16473 3/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.31
EPHX1 P07099 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAAA Q02083 1/20 0.31
ENPP2 Q13822 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL21398839 0.82 CES2 (0.34) CES2CES1HDAC8HDAC6ENPP3
SCHEMBL21398841 0.81 ALDH1A1 (0.37) CES2CES1ENPP3ENPP1TSHR
SCHEMBL27395269 0.74 CES2 (0.44) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL23921449 0.71 SMN1; SMN2 (0.38) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL5134271 0.71 CES2 (0.40) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL27981154 0.69 CES2 (0.39) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL23143056 0.69 EPHX1 (0.42) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL21396998 0.69 EPHX2 (0.33) CES2CES1TSHRALDH1A1EPHX1
SCHEMBL21396814 0.69 SMN1; SMN2 (0.36) CES2CES1SMN1; SMN2TSHRALDH1A1
SCHEMBL21396824 0.68 ALDH1A1 (0.37) CES2CES1SMN1; SMN2ENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190294042-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed