SCHEMBL4524494

SCHEMBL4524494

CCCCCCCCCCCCCCCCCCC[CH]CC(C)Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
FAAH O00519 3/20 0.37
TRPV1 Q8NER1 1/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
THRB P10828 1/20 0.36
MGLL Q99685 1/20 0.35
DNM1 Q05193 3/20 0.35
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
EP300 Q09472 1/20 0.33

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
SCHEMBL27883842 1.00 TSHR (0.41) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL4533485 0.98 TSHR (0.37) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL9784627 0.81 TSHR (0.44) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL1931465 0.81 TSHR (0.44) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL9205173 0.81 TSHR (0.44) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL3335340 0.81 TSHR (0.44) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL9216022 0.81 TSHR (0.44) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL7389147 0.81 TSHR (0.44) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL6242253 0.81 TSHR (0.44) TSHRFAAHTRPV1ADH1BADH1C
SCHEMBL223057 0.81 TSHR (0.44) TSHRFAAHTRPV1ADH1BADH1C

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-7601772-B2 Nano-composite and method thereof BRIDGESTONE CORPORATION 2009-10-13 US disclosed
US-20070161734-A1 Comprising clay and cationic mediator such as imidazolium compound wherein cationic mediator comprises hydrophobic unit and cationic unit; use in preparing products such as tires with improved and well-balanced properties including gas impermeability, cure rates, and superior mechanical characteristics BRIDGESTONE CORPORATION (JP) 2007-07-12 US disclosed