SCHEMBL22745504

SCHEMBL22745504

COCC(O)CN(CCCN(CCO)CCO)CC(O)COc1ccc(C(C)(C)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 1/20 0.49
▸ AR P10275 1/20 0.46
▸ GAA P10253 4/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL14196580 0.96 HTT (0.56) HTTHIF1AALDH1A1LMNAAR
SCHEMBL1101535 0.82 HTT (0.61) HTTHIF1AALDH1A1LMNAAR
SCHEMBL12135524 0.81 HTT (0.58) HTTHIF1AALDH1A1LMNAAR
SCHEMBL13963728 0.81 HTT (0.58) HTTHIF1AALDH1A1LMNAAR
SCHEMBL10078135 0.79 HTT (0.61) HTTHIF1AALDH1A1LMNAAR
SCHEMBL18120597 0.78 KDM4E (0.71) HTTHIF1AALDH1A1LMNAAR
SCHEMBL17324142 0.77 HTT (0.53) HTTHIF1AALDH1A1LMNAAR
SCHEMBL1101566 0.77 HTT (0.55) HTTHIF1AALDH1A1LMNAAR
SCHEMBL9636165 0.76 ALDH1A1 (0.62) HTTHIF1AALDH1A1LMNAAR
SCHEMBL16004370 0.76 AR (0.58) HTTHIF1AALDH1A1LMNAAR

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
US-11186734-B2 Epoxy resin emulsions for electrocoating AXALTA COATING SYSTEMS IP CO., LLC (US) 2021-11-30 — — US disclosed
US-20200377740-A1 EPOXY RESIN EMULSIONS FOR ELECTROCOATING AXALTA COATING SYSTEMS IP CO., LLC (US) 2020-12-03 — — US disclosed
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