SCHEMBL16902893

SCHEMBL16902893

OCc1ccc(OC2CCC(Oc3ccc(CO)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
FAAH O00519 1/20 0.50
EPHX2 P34913 1/20 0.50
HRH1 P35367 2/20 0.47
LTA4H P09960 1/20 0.47
ALOX12 P18054 1/20 0.45
PARP10 Q53GL7 1/20 0.43
HRH3 Q9Y5N1 8/20 0.42
ACACB O00763 2/20 0.42

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
SCHEMBL12489770 1.00 ALDH1A1 (0.53) ALDH1A1TSHRFAAHEPHX2HRH1
SCHEMBL4661973 0.92 ALDH1A1 (0.58) ALDH1A1TSHRFAAHEPHX2HRH1
SCHEMBL7538656 0.92 ALDH1A1 (0.63) ALDH1A1TSHRFAAHEPHX2HRH1
SCHEMBL6671079 0.90 ALDH1A1 (0.61) ALDH1A1TSHRFAAHEPHX2HRH1
SCHEMBL19050238 0.87 HRH1 (0.66) ALDH1A1TSHRFAAHEPHX2HRH1
SCHEMBL16902888 0.84 FURIN (0.56) ALDH1A1TSHRFAAHEPHX2HRH1
SCHEMBL24925776 0.83 ALDH1A1 (0.54) ALDH1A1TSHRHRH1ALOX12PARP10
SCHEMBL25361519 0.82 LTA4H (0.42) ALDH1A1TSHRFAAHEPHX2HRH1
SCHEMBL8002002 0.80 SLC5A2 (0.47) ALDH1A1TSHRFAAHEPHX2LTA4H
SCHEMBL3348834 0.80 EPHX2 (0.48) FAAHEPHX2HRH3

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