SCHEMBL22019966

SCHEMBL22019966

CCCC(CC)CCCCCCCNCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
KDM1A O60341 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
CA2 P00918 2/20 0.33
SAT1 P21673 2/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL24474442 0.91 TSHR (0.50) TSHRCYP2C19CYP1A2KDM1AALDH1A1
SCHEMBL28316696 0.89 TSHR (0.52) TSHRCYP2C19CYP1A2KDM1AALDH1A1
SCHEMBL19033247 0.88 ALDH1A1 (0.48) TSHRCYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL22624698 0.88 ALDH1A1 (0.43) TSHRCYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL14139579 0.85 TSHR (0.54) TSHRCYP2C19CYP1A2KDM1AALDH1A1
SCHEMBL18937359 0.83 ALDH1A1 (0.48) TSHRCYP2C19CYP1A2KDM1AALDH1A1
SCHEMBL25701264 0.83 ALDH1A1 (0.48) TSHRCYP2C19CYP1A2KDM1AALDH1A1
SCHEMBL22625620 0.83 ALDH1A1 (0.58) TSHRCYP2C19CYP1A2KDM1AALDH1A1
SCHEMBL12478812 0.83 ALDH1A1 (0.59) TSHRCYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL24673319 0.82 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4TDP1LMNA

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-3653648-A1 SUBSTRATE COVERED WITH POLYMERS FOR SELECTIVE SEPARATION OF CELLS OR FOR CELL CULTURING National University Corporation University Of Toyama (JP) 2020-05-20 EP disclosed