SCHEMBL8683132

SCHEMBL8683132

Cc1cc(C2CCCCCC2)cc(C)c1OCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.45
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL8682485 1.00 HTR1A (0.45) HTR1APOLBSMN1; SMN2HTTALDH1A1
SCHEMBL8681910 1.00 HTR1A (0.45) HTR1APOLBSMN1; SMN2HTTALDH1A1
SCHEMBL8686934 0.98 HTR1A (0.46) HTR1APOLBSMN1; SMN2HTTALDH1A1
SCHEMBL8683743 0.81 EPHX2 (0.40) SMN1; SMN2ALOX5APFEN1KDM4EHIF1A
SCHEMBL8686944 0.81 EPHX2 (0.40) SMN1; SMN2ALOX5APFEN1KDM4EHIF1A
SCHEMBL8681799 0.81 EPHX2 (0.40) SMN1; SMN2ALOX5APFEN1KDM4EHIF1A
SCHEMBL16559623 0.81 ALOX5AP (0.34) HTR1ASMN1; SMN2HTTALDH1A1ALOX5AP
SCHEMBL8681855 0.80 ALOX5AP (0.35) HTR1APOLBALDH1A1ALOX5APFEN1
SCHEMBL8681490 0.80 ALOX5AP (0.35) HTR1APOLBALDH1A1ALOX5APFEN1
SCHEMBL8682986 0.80 KDM4E (0.45) SMN1; SMN2ALDH1A1KDM4EPTGDR2LMNA

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-5780194-A PHOTOSENSITIVE LAYER OF POLYESTER BINDING RESIN, ELECTRIC CHARGE GENERATING MATERIAL, AND HOLE TRANSFERRING MATERIAL MITA INDUSTRIAL CO., LTD. (JP) 1998-07-14 — — US disclosed
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