SCHEMBL5528788

SCHEMBL5528788

CCN(CCOCCOCCOCCOC[N+](C)(C)CCCS(=O)(=O)O)c1cccc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ GFER P55789 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 7/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL7600315 0.93 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL19938118 0.83 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL186733 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL29387582 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL30848155 0.78 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL5525904 0.78 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL1592182 0.78 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL9360416 0.77 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19TP53
Water SCHEMBL20853623 0.77 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19TP53
SCHEMBL29540381 0.77 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19TP53

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-9068081-B2 Thiophene azo dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2015-06-30 — — US disclosed
US-20120123101-A1 Thiophene Azo Dyes and Laundry Care Compositions Containing the Same MILLIKEN & COMPANY 2012-05-17 — — US disclosed
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