SCHEMBL16902873

SCHEMBL16902873

OCc1ccc(OC2CCCCC2Oc2ccc(CO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
NPY4R P50391 1/20 0.45
NPY5R Q15761 1/20 0.45
LTA4H P09960 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALOX12 P18054 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
EPHX2 P34913 2/20 0.36
FAAH O00519 1/20 0.36
ACACB O00763 3/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7538656 0.84 ALDH1A1 (0.63) ALDH1A1TSHRLTA4HHRH3ALOX12
SCHEMBL6671079 0.82 ALDH1A1 (0.61) ALDH1A1TSHRLTA4HHRH3ALOX12
SCHEMBL29159169 0.82 MMP2 (0.41) ALDH1A1TSHRNPY1RNPY2RNPY4R
SCHEMBL4661973 0.80 ALDH1A1 (0.58) ALDH1A1TSHRLTA4HHRH3ALOX12
SCHEMBL12489770 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLTA4HHRH3ALOX12
SCHEMBL16902893 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLTA4HHRH3ALOX12
SCHEMBL16902892 0.78 ALDH1A1 (0.42) ALDH1A1TSHRCYSLTR1
SCHEMBL16902888 0.77 FURIN (0.56) ALDH1A1TSHRLTA4HALOX12EPHX2
SCHEMBL16902837 0.77 NPY1R (0.49) ALDH1A1NPY1RNPY2RNPY4RNPY5R
SCHEMBL1391095 0.76 PARP10 (0.59) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed