SCHEMBL28943802

SCHEMBL28943802

CCCCC(Br)c1cccc(Oc2cccc(C(Br)CCCC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.42
PTGS1 P23219 2/20 0.41
ALOX5 P09917 2/20 0.40
PTGES O14684 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LTA4H P09960 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4480833 0.89 AOC3 (0.44) ALOX5PPARGPPARA
SCHEMBL27276871 0.87 AOC3 (0.43) ALOX5PPARGPPARA
SCHEMBL2744792 0.86 POLB (0.37) ALOX5PTGESPPARGPPARAALDH1A1
SCHEMBL11453690 0.82 PTGS1 (0.45) PTGS1ALOX5LTA4HMEN1KMT2A
SCHEMBL28771721 0.81 BDKRB2 (0.34) ALOX5PTGESPPARGPPARAALDH1A1
SCHEMBL28943786 0.80 CACNA1B (0.44) PLATPTGS1ALOX5PTGESPPARG
SCHEMBL28771735 0.79 LTA4H (0.44) LTA4HACACBACACALMNASMN1; SMN2
SCHEMBL9331966 0.78 PTGS1 (0.53) PTGS1ALOX5LTA4HMEN1KMT2A
SCHEMBL28771652 0.78 CYP2D6 (0.33) ALOX5PTGESPPARGCYP2D6ALDH1A1
SCHEMBL4469234 0.78 OPRM1 (0.42)

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