SCHEMBL9808038

SCHEMBL9808038

c1cc(C2CCCCC2)ccc1OCCCCOc1ccc(C2CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 16/20 0.71
▸ KCNH2 Q12809 5/20 0.71
▸ CYP2C9 P11712 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47

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
SCHEMBL11587655 0.93 HRH3 (0.63) HRH3KCNH2CYP2C9CYP3A4
SCHEMBL27508210 0.91 HRH3 (0.61) HRH3KCNH2CYP2C9CYP3A4
SCHEMBL10770845 0.90 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4
SCHEMBL12835099 0.90 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4
SCHEMBL5556221 0.89 HRH3 (0.63) HRH3KCNH2CYP2C9CYP3A4KDM4E
SCHEMBL28063059 0.88 HRH3 (0.57) HRH3KCNH2CYP2C9
SCHEMBL8682954 0.87 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4NFE2L2
SCHEMBL10798982 0.87 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4
SCHEMBL8683784 0.87 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4NFE2L2
SCHEMBL4339149 0.87 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4NFE2L2

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
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 — — US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 — — EP disclosed
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