SCHEMBL28147494

SCHEMBL28147494

CCOC(=O)C(CC)C(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
PAM P19021 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.43
PIN1 Q13526 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
PPID Q08752 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL27642079 0.84 NAPRT (0.47) TSHRALDH1A1KMT2APOLB
SCHEMBL16049191 0.83 MMP8 (0.55) MMP8TSHRALDH1A1L3MBTL1MAPK1
SCHEMBL7060682 0.81 MMP8 (0.56) MMP8TSHRALDH1A1L3MBTL1MAPK1
SCHEMBL10921983 0.80 TSHR (0.57) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4644386 0.79 MAPT (0.49) MMP8TSHRALDH1A1L3MBTL1MAPK1
SCHEMBL4647772 0.79 MAPT (0.49) MMP8TSHRALDH1A1L3MBTL1MAPK1
SCHEMBL27642382 0.79 MEN1 (0.44) TSHRALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL10675618 0.79 ALDH1A1 (0.55) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL112999 0.78 ALDH1A1 (0.68) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL1332625 0.78 ALDH1A1 (0.68) TSHRALDH1A1L3MBTL1MAPK1PAM

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
CN-106753301-A Oil field barium strontium dirt blocking remover composition and preparation method thereof 甘肃黑马石化工程有限公司 2017-05-31 CN claimed
CN-106753301-A Oil field barium strontium dirt blocking remover composition and preparation method thereof 甘肃黑马石化工程有限公司 2017-05-31 CN disclosed
CN-106753301-A Oil field barium strontium dirt blocking remover composition and preparation method thereof 甘肃黑马石化工程有限公司 2017-05-31 CN disclosed