SCHEMBL9636026

SCHEMBL9636026

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ GAA P10253 4/20 0.55
▸ HTT P42858 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.45
▸ AR P10275 1/20 0.44
▸ TSHR P16473 2/20 0.43

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
SCHEMBL9636165 0.87 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2GAAHTT
SCHEMBL9636030 0.84 MAPK1 (0.55) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL15677164 0.82 AR (0.62) LMNASMN1; SMN2CYP3A4GAAHTT
SCHEMBL1101535 0.82 HTT (0.61) ALDH1A1LMNASMN1; SMN2GAAHTT
SCHEMBL10078135 0.82 HTT (0.61) ALDH1A1LMNACYP3A4GAAHTT
SCHEMBL10412598 0.80 SMN1; SMN2 (0.60) LMNASMN1; SMN2CYP3A4GAAHTT
SCHEMBL1101566 0.77 HTT (0.55) ALDH1A1LMNASMN1; SMN2GAAHTT
SCHEMBL12403146 0.76 GAA (0.64) ALDH1A1LMNASMN1; SMN2GAAHTT
SCHEMBL7879426 0.76 CYP3A4 (0.61) ALDH1A1LMNASMN1; SMN2CYP3A4GAA
SCHEMBL31414645 0.76 ALDH1A1 (0.67) ALDH1A1LMNAGAAHIF1ANCOA3

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
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
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