SCHEMBL18430458

SCHEMBL18430458

Cc1cccc(N(CCOCCOCCOS(=O)(=O)O)CC(C)OCCCS(=O)(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PER2 O15055 1/20 0.30
▸ CRY1 Q16526 1/20 0.30
▸ CRY2 Q49AN0 1/20 0.30

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
SCHEMBL19941543 0.82 LMNA (0.38) GLALMNAMAPTNPSR1TP53
SCHEMBL9873109 0.75 RECQL (0.41) GLALMNAMAPTNPSR1TP53
SCHEMBL9872251 0.72 CYP3A4 (0.45) LMNAMAPTNPSR1TP53HTT
SCHEMBL7600315 0.71 CYP1A2 (0.39) LMNAMAPTNPSR1TP53HTT
SCHEMBL9487613 0.71 CYP1A2 (0.43) GLALMNAMAPTTP53HTT
SCHEMBL5528788 0.71 CYP1A2 (0.38) LMNAMAPTNPSR1TP53HTT
SCHEMBL27960646 0.70 CYP1A2 (0.42) GLALMNAMAPTTP53HTT
SCHEMBL396919 0.70 ALDH1A1 (0.43) GLALMNAMAPTTP53HTT
SCHEMBL7045574 0.70 CYP1A2 (0.48) LMNAMAPTNPSR1TP53HTT
SCHEMBL7532908 0.69 ALDH1A1 (0.42) GLALMNAMAPTTP53HTT

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-9556337-B2 Thiophene azo dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-01-31 — — US disclosed
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