SCHEMBL28914665

SCHEMBL28914665

Sc1ccc(OC2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.43
▸ PARP10 Q53GL7 1/20 0.42
▸ HRH3 Q9Y5N1 5/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ SLC6A4 P31645 4/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ EPHX2 P34913 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ FURIN P09958 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHRNA10 Q9GZZ6 1/20 0.36
▸ CHRNA9 Q9UGM1 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
SCHEMBL8574918 0.89 HRH3 (0.42) HRH1PARP10HRH3PTPN1SLC6A4
SCHEMBL1402273 0.89 PARP10 (0.47) HRH1PARP10HRH3EPHX2ALDH1A1
SCHEMBL14145810 0.85 HRH1 (0.66) HRH1HRH3SLC6A2SLC6A3CHRNB2
SCHEMBL6903727 0.77 TDP1 (0.50) HRH1PARP10HRH3PTPN1SLC6A4
SCHEMBL8314928 0.77 TDP1 (0.50) HRH1PARP10HRH3PTPN1SLC6A4
SCHEMBL9640923 0.75 HRH1 (0.43) HRH1PARP10HRH3PTPN1SLC6A4
SCHEMBL16838744 0.75 SMN1; SMN2 (0.56) HRH1PARP10HRH3EPHX2ALDH1A1
SCHEMBL9572112 0.75 EPHX2 (0.57) HRH1PARP10EPHX2
SCHEMBL7943168 0.75 HRH1 (0.43) HRH1PARP10HRH3PTPN1SLC6A4
SCHEMBL9572108 0.75 EPHX2 (0.57) HRH1PARP10EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469768-B Polymerization condition setting method and method for producing optical material 三井化学株式会社 2023-04-28 — — CN disclosed
CN-111868099-B Method for setting polymerization conditions and method for producing optical material 三井化学株式会社 2022-12-16 — — CN disclosed
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