SCHEMBL8486887

SCHEMBL8486887

CC(=O)C1(Br)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C3 P42330 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
BACE1 P56817 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL28444641 0.87 RARA (0.31) RARARARBRARGRXRANR2E1
SCHEMBL27641916 0.84 SMN1; SMN2 (0.35) MAPTSMN1; SMN2RARARARBRARG
SCHEMBL27656088 0.84 MEN1 (0.40) MAPTMEN1KMT2A
SCHEMBL28240002 0.83 LMNA (0.33) RARARARBRARGRXRANR2E1
SCHEMBL5479512 0.81 MAPT (0.35) MAPTSMN1; SMN2AKR1C3RARARARB
SCHEMBL29057754 0.81 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL28536651 0.81 CES1 (0.32)
SCHEMBL8502416 0.80 FFAR1 (0.37) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6808145 0.78 MAPT (0.33) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27604192 0.78 MAPT (0.33) MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640041-B Method and system for preparing 4-bromodiphenyl and derivative thereof 南京先进生物材料与过程装备研究院有限公司 2023-10-31 CN disclosed
CN-116640041-A Method and system for preparing 4-bromodiphenyl and derivative thereof 南京先进生物材料与过程装备研究院有限公司 2023-08-25 CN disclosed
CN-112645823-B Environment-friendly fluorine-containing surfactant and preparation method thereof 绍兴市上虞区武汉理工大学高等研究院 2022-07-05 CN disclosed
CN-113999083-A Novel method for synthesizing 2, 2-difluoroethyl aromatic compound 山东理工大学 2022-02-01 CN disclosed
CN-112645823-A Environment-friendly fluorine-containing surfactant and preparation method thereof 绍兴市上虞区武汉理工大学高等研究院 2021-04-13 CN disclosed
CN-100460385-C Preparation method of 4-cyano-4' -hydroxybiphenyl YANTAI VALIANT FINE CHEMICALS (CN) 2009-02-11 CN disclosed
CN-1876623-A Preparation method of 4-cyano-4' -hydroxybiphenyl VALIANT FINE CHEMICALS CO LTD (CN) 2006-12-13 CN disclosed
CN-1076345-C 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 2001-12-19 CN disclosed
WO-1999065899-A1 NEW OXAZINYLAZOLE DERIVATIVES AS FUNGICIDES DONGBU HANNONG CHEMICAL CO., LTD. (KR) 1999-12-23 WO disclosed
CN-1080917-A Biphenyl derivatives contains pharmaceutical composition of these compounds and preparation method thereof THOMAE GMBH DR K (DE) 1994-01-19 CN disclosed