SCHEMBL11534282

SCHEMBL11534282

O=C(O)CCCCCCC(Br)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.63
LCK P06239 1/20 0.63
ZDHHC20 Q5W0Z9 1/20 0.63
ZDHHC2 Q9UIJ5 1/20 0.63
TSHR P16473 4/20 0.55
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GSTK1 Q9Y2Q3 2/20 0.50
FFAR4 Q5NUL3 3/20 0.48
FFAR1 O14842 3/20 0.48
ALDH1A1 P00352 3/20 0.47
GPR84 Q9NQS5 4/20 0.46
ENPEP Q07075 1/20 0.45
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
HDAC11 Q96DB2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL11535630 1.00 PPARD (0.63) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL11539998 1.00 PPARD (0.63) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL11538770 1.00 PPARD (0.63) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL28978909 1.00 PPARD (0.63) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL11532880 1.00 PPARD (0.63) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL27970253 0.98 PPARD (0.61) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL27970184 0.98 PPARD (0.61) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL27972860 0.98 PPARD (0.61) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL11536608 0.98 LCK (0.59) PPARDLCKZDHHC20ZDHHC2TSHR
SCHEMBL598016 0.91 LCK (0.56) PPARDLCKZDHHC20ZDHHC2TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111793004-B Bromine-containing compound and preparation method and application thereof 苏州塔霍新材料科技有限公司 2023-03-21 CN claimed
CN-111793004-A Bromine-containing compound and preparation method and application thereof 桑尼维尔新材料科技(南京)有限公司 2020-10-20 CN claimed
CN-111793004-B Bromine-containing compound and preparation method and application thereof 苏州塔霍新材料科技有限公司 2023-03-21 CN disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
CN-111793004-A Bromine-containing compound and preparation method and application thereof 桑尼维尔新材料科技(南京)有限公司 2020-10-20 CN disclosed
US-4180660-A CONTAINING FORMYL SUBSTITUTED PYRROLE GROUP YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1979-12-25 US disclosed
US-4148998-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1979-04-10 US disclosed
US-4122260-A CONTAINING FORMYL SUBSTITUTED PYRROLE, ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-10-24 US disclosed