SCHEMBL28771985

SCHEMBL28771985

CCCCC(Br)c1ccc(Sc2ccc(C(Br)CCCC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
ALOX5 P09917 4/20 0.33
PTGES O14684 3/20 0.33
SLC6A4 P31645 3/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MEN1 O00255 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ABCB11 O95342 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL28771612 0.82 BDKRB2 (0.47) PPARGPPARAALOX5PTGESLMNA
SCHEMBL5795845 0.80 CYP1A2 (0.38) ALOX5SLC6A4LMNASMN1; SMN2ALDH1A1
SCHEMBL7640359 0.80 HRH3 (0.45) PPARGPPARAALOX5PTGESSMN1; SMN2
SCHEMBL28943783 0.79 ALOX5 (0.35) PPARGPPARAALOX5PTGESSLC6A4
SCHEMBL28771738 0.78 BDKRB2 (0.40) SLC6A4LMNAHRH3ALDH1A1EGFR
SCHEMBL4059571 0.78 ESR1 (0.52) SLC6A4LMNAALDH1A1EGFRESR1
SCHEMBL6683571 0.78 HTR7 (0.39) SLC6A4LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7217195 0.78 SLC6A2 (0.44) SLC6A4LMNASMN1; SMN2TP53TSHR
SCHEMBL1920593 0.78 POLB (0.45) LMNAALDH1A1HRH1OPRM1SIGMAR1
SCHEMBL28771735 0.77 LTA4H (0.44) LMNASMN1; SMN2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790292-B Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2022-05-31 CN disclosed