SCHEMBL18357876

SCHEMBL18357876

CCCCNCCOCCOCCOCCOCCN(CC)c1ccc(I)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 6/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ S100B P04271 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ MAPT P10636 5/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ IGLV6-57 P01721 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ GFER P55789 1/20 0.32

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
SCHEMBL9191026 0.74 S100B (0.60) TSHRKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL18357527 0.72 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2S100BS1PR1
SCHEMBL18357955 0.72 S100B (0.48) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL6296734 0.72 S100B (0.62) TSHRKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21209088 0.71 S100B (0.62) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL18467811 0.70 S1PR1 (0.43) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL11133067 0.69 MAPT (0.44) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL2112282 0.68 MAPT (0.36) TSHRALDH1A1KMT2AMEN1CYP1A2
SCHEMBL9192716 0.68 S100B (0.64) TSHRALDH1A1KMT2AMEN1CYP3A4
SCHEMBL11650522 0.68 S100B (0.64) TSHRALDH1A1KMT2AMEN1CYP3A4

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
EP-2638113-B1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & CO (US) 2017-01-04 — — EP disclosed
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