SCHEMBL27546433

SCHEMBL27546433

Cc1cc(-c2cccc(O)c2)cc(C2CCCCC2)c1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 7/20 0.46
▸ HSD17B2 P37059 7/20 0.46
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ PTPN5 P54829 2/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ SLC6A9 P48067 1/20 0.37

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
SCHEMBL27584476 0.77 OPRM1 (0.41) —
SCHEMBL29484415 0.77 SLC6A4 (0.41) —
SCHEMBL2516717 0.77 SLC6A4 (0.41) —
Ethane SCHEMBL28200320 0.76 TDP1 (0.40) PTPN5PTPN2
Ethane SCHEMBL28160570 0.75 HSD17B1 (0.41) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL5520565 0.74 FEN1 (0.38) PTPN5PTPN2
Metacresol SCHEMBL15511838 0.74 ACHE (0.49) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL5530916 0.74 NUDT1 (0.40) PTPN5PTPN2
SCHEMBL11653083 0.74 KDM4E (0.49) PTPN5PTPN2
SCHEMBL5531038 0.73 PTPN5 (0.36) PTPN5PTPN2

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-1307139-C Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2007-03-28 — — CN disclosed
CN-1448379-A Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2003-10-15 — — CN disclosed
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