SCHEMBL16902895

SCHEMBL16902895

OCc1cccc(OC2CCCC(Oc3cccc(CO)c3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.44
FURIN P09958 2/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 1/20 0.40
HDAC4 P56524 2/20 0.40
MEF2D Q14814 2/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 5/20 0.39
OPRD1 P41143 1/20 0.39
EP300 Q09472 1/20 0.39
CETP P11597 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL13802801 0.90 HRH1 (0.46) HRH1OPRM1OPRK1KCNH2ALDH1A1
SCHEMBL13802881 0.89 GRIN2D (0.47) HRH1OPRM1OPRK1KCNH2ALDH1A1
SCHEMBL16902901 0.86 HRH1 (0.48) HRH1OPRM1OPRK1KCNH2HDAC4
SCHEMBL8147585 0.86 HRH1 (0.48) HRH1OPRM1OPRK1KCNH2HDAC4
SCHEMBL12093102 0.83 OPRK1 (0.45) HRH1OPRM1OPRK1KCNH2TSHR
SCHEMBL18616740 0.81 CHRNB2 (0.53) HRH1KCNH2SLC6A2
SCHEMBL16902892 0.80 ALDH1A1 (0.42) HRH1OPRM1OPRK1KCNH2ALDH1A1
SCHEMBL16902888 0.80 FURIN (0.56) HRH1FURINALDH1A1TSHRFFAR4
SCHEMBL16902846 0.78 OPRM1 (0.52) FURINOPRM1OPRK1KCNH2CHRNB4
SCHEMBL30350665 0.77 FFAR4 (0.52) HRH1ALDH1A1TSHRFFAR4SLC6A2

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