SCHEMBL7103852

SCHEMBL7103852

C=C(C)C(=O)OCN(CCCCCCCC)CCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 2/20 0.41
DNM1 Q05193 1/20 0.37
KDM5A P29375 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CES2 O00748 1/20 0.34
THRA P10827 1/20 0.34
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
FAAH O00519 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
SCHEMBL6911057 1.00 TSHR (0.61) TSHRTHRBDNM1KDM5APHF8
SCHEMBL1336548 1.00 TSHR (0.61) TSHRTHRBDNM1KDM5APHF8
SCHEMBL14957359 0.98 TSHR (0.58) TSHRTHRBDNM1KDM5APHF8
SCHEMBL3278480 0.93 TSHR (0.55) TSHRTHRBDNM1KDM5APHF8
SCHEMBL830218 0.85 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2832317 0.85 TSHR (0.69) TSHRTHRBDNM1KDM5APHF8
SCHEMBL10526650 0.85 TSHR (0.69) TSHRTHRBDNM1KDM5APHF8
SCHEMBL6914198 0.85 TSHR (0.69) TSHRTHRBDNM1KDM5APHF8
SCHEMBL12346282 0.85 TSHR (0.69) TSHRTHRBDNM1KDM5APHF8
SCHEMBL1336680 0.85 TSHR (0.80) TSHRTHRBDNM1KDM5APHF8

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-20130129392-A1 DEVELOPER CARRYING MEMBER AND DEVELOPING UNIT CANON KABUSHIKI KAISHA (JP) 2013-05-23 US disclosed
US-20030220428-A1 Rubber mixtures containing quaternary polymers and polar plasticizers BAYER AKTIENGESELLSCHAFT (DE) 2003-11-27 US disclosed