SCHEMBL538627

SCHEMBL538627

Brc1ccc(Br)cc1.CCCC[Sn](Cl)(Cl)CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CYP2A6 P11509 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL538626 0.83 RECQL (0.37) CYP1A2CYP2D6CYP2C19LMNANFKB1
SCHEMBL37123 0.80 TSHR (0.40) LMNASMN1; SMN2ALDH1A1TDP1
Water SCHEMBL28850770 0.77 TSHR (0.38) LMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL28304571 0.77 TSHR (0.38) LMNAALDH1A1TDP1
SCHEMBL2721463 0.76 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C19LMNAHDAC3
SCHEMBL18528455 0.75 TSHR (0.35) LMNAALDH1A1TDP1
SCHEMBL11802788 0.75 TSHR (0.35) LMNAALDH1A1TDP1
Methyl Alcohol SCHEMBL28075362 0.75 TSHR (0.35) LMNASMN1; SMN2ALDH1A1TDP1
Bromide SCHEMBL9580196 0.75 TSHR (0.35) LMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL14658568 0.72 LTA4H (0.33) LMNASMN1; SMN2NPC1RAB9AL3MBTL1

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
CN-105585809-B Hydrogenated block copolymer compositions and adhesive composition 旭化成株式会社 2019-04-16 CN disclosed
EP-2415846-A1 ADHESIVE COMPOSITION FOR LABELS Zeon Corporation (JP) 2012-02-08 EP disclosed