SCHEMBL28167356

SCHEMBL28167356

CCC(Br)C(C)(Br)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL4447706 0.78 TSHR (0.35) TSHRALDH1A1CA2MAPK1CYP2D6
SCHEMBL10438608 0.78 CYP2C9 (0.35) TSHRALDH1A1CA2MAPK1CYP2D6
SCHEMBL25273935 0.78 LCK (0.31) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL10616009 0.76 TSHR (0.33) TSHRALDH1A1CA2MAPK1CYP2D6
SCHEMBL2703456 0.74 LMNA (0.33) TSHRALDH1A1CA2MAPK1CYP2D6
SCHEMBL5388712 0.72
SCHEMBL3465484 0.71 LCK (0.30) TSHRALDH1A1LCKPPARDZDHHC20
SCHEMBL21585899 0.71 DPP4 (0.30) LCKPPARDZDHHC20ZDHHC2
SCHEMBL11680928 0.70 ALDH1A1 (0.38) TSHRALDH1A1CYP2C19
SCHEMBL18112453 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107056834-B A kind of synthetic method of artificial cell membrane's principal component 2- methylacryoyloxyethyl Phosphorylcholine 苏州怡彼得生物技术有限公司 2019-02-15 CN claimed
CN-107056834-A A kind of synthetic method of the methylacryoyloxyethyl Phosphorylcholine of artificial cell membrane's principal component 2 苏州怡彼得生物技术有限公司 2017-08-18 CN claimed
CN-109666100-A A kind of synthetic method of artificial cell membrane material polyquaternium -51 苏州怡彼得生物技术有限公司 2019-04-23 CN disclosed
CN-107056834-B A kind of synthetic method of artificial cell membrane's principal component 2- methylacryoyloxyethyl Phosphorylcholine 苏州怡彼得生物技术有限公司 2019-02-15 CN disclosed
CN-107056834-B A kind of synthetic method of artificial cell membrane's principal component 2- methylacryoyloxyethyl Phosphorylcholine 苏州怡彼得生物技术有限公司 2019-02-15 CN disclosed
CN-108250058-A PPAR agonists and their use in the treatment of Alzheimer's disease and other diseases 上海怡立舍生物技术有限公司 2018-07-06 CN disclosed
CN-107056834-A A kind of synthetic method of the methylacryoyloxyethyl Phosphorylcholine of artificial cell membrane's principal component 2 苏州怡彼得生物技术有限公司 2017-08-18 CN disclosed