SCHEMBL9636030

SCHEMBL9636030

CCCCCC(C)(C)c1ccc(OCC(O)CN(CCO)CCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GAA P10253 3/20 0.52
▸ HTT P42858 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ AR P10275 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL9636026 0.84 ALDH1A1 (0.57) MAPK1KDM4ETDP1ALDH1A1LMNA
SCHEMBL9636165 0.83 ALDH1A1 (0.62) MAPK1KDM4ETDP1ALDH1A1LMNA
SCHEMBL18120597 0.80 KDM4E (0.71) MAPK1KDM4ETDP1ALDH1A1LMNA
SCHEMBL7879429 0.79 LMNA (0.47) LMNAHTTHIF1AHSD17B10CNR1
SCHEMBL10078135 0.79 HTT (0.61) MAPK1KDM4ETDP1ALDH1A1LMNA
SCHEMBL2108648 0.79 HTT (0.48) MAPK1KDM4ETDP1LMNAGAA
SCHEMBL502214 0.79 MAPK1 (0.59) MAPK1KDM4ETDP1ALDH1A1LMNA
SCHEMBL1101535 0.79 HTT (0.61) MAPK1KDM4ETDP1ALDH1A1LMNA
SCHEMBL2108186 0.77 CNR2 (0.49) LMNAHSD17B10ARCNR1CNR2
SCHEMBL4074135 0.76 CYP3A4 (0.62) MAPK1ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239536-B1 LUBRICANT COMPOSITIONS CIBA-GEIGY AG (CH) 1992-06-24 — — EP claimed
EP-0239536-A2 Lubricant compositions CIBA-GEIGY AG (CH) 1987-09-30 — — EP claimed
EP-0239536-B1 LUBRICANT COMPOSITIONS CIBA-GEIGY AG (CH) 1992-06-24 — — EP disclosed
EP-0239536-A2 Lubricant compositions CIBA-GEIGY AG (CH) 1987-09-30 — — EP disclosed
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