SCHEMBL9138938

SCHEMBL9138938

Cc1cc(O)c(-c2cc(C)c(O)c(-c3cc(C4CCCCC4)c(C)cc3O)c2C)cc1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ PTPN5 P54829 4/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CCR6 P51684 1/20 0.33

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
SCHEMBL9137211 0.86 NUDT1 (0.34) NUDT1BACE1HSP90AA1PTPN5PTPN2
SCHEMBL5526208 0.84 ELANE (0.35) NUDT1BACE1HSP90AA1PTPN5PTPN2
SCHEMBL7522760 0.84 HSP90AA1 (0.38) NUDT1BACE1HSP90AA1PTPN5PTPN2
Ethane SCHEMBL28868993 0.81 NUDT1 (0.37) NUDT1BACE1HSP90AA1PTPN5PTPN2
SCHEMBL5527391 0.78 NUDT1 (0.42) NUDT1BACE1HSP90AA1PTPN5PTPN2
P-Cresol SCHEMBL15511935 0.77 ACHE (0.41) NUDT1BACE1HSP90AA1KDM4EMAPT
Orthocresol SCHEMBL15512397 0.77 MEN1 (0.37) NUDT1BACE1HSP90AA1KDM4EMAPT
SCHEMBL15512040 0.75 TRPA1 (0.48) NUDT1BACE1HSP90AA1KDM4EMAPT
Ethane SCHEMBL28833111 0.75 TDP1 (0.42) NUDT1BACE1HSP90AA1PTPN5PTPN2
SCHEMBL1243063 0.73 KDM4E (0.41) NUDT1BACE1HSP90AA1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401605-A Positive working photosensitive resin composition containing 1,2-naphthoquinone diazide esterification product of triphenylmethane compound TOKYO OHKA KOGYO CO., LTD. (JP) 1995-03-28 — — US disclosed
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