SCHEMBL6760853

SCHEMBL6760853

Cc1ccc(C=C(c2ccc(C)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.59
ALDH1A1 P00352 3/20 0.52
ESR1 P03372 2/20 0.52
ESR2 Q92731 1/20 0.52
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
GPR183 P32249 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42

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
SCHEMBL19772788 1.00 PTGS2 (0.59) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL6760850 1.00 PTGS2 (0.59) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL4231107 1.00 PTGS2 (0.59) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL10325064 0.90 PTGS2 (0.54) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL10325065 0.90 PTGS2 (0.54) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL8053369 0.89 PTGS2 (0.69) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL2925327 0.89 PTGS2 (0.69) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL21738730 0.89 ESR1 (0.62) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL6288814 0.83 PTGS2 (0.62) PTGS2ALDH1A1ESR1ESR2MAPT
SCHEMBL9026538 0.82 PTGS2 (0.73) PTGS2ALDH1A1ESR1ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821644-B2 BIS(DIARYLAMINO)ARYLENE COMPOUND; BRILLIANCE, DURABILITY SAMSUNG SDI CO., LTD. (KR) 2004-11-23 US disclosed
US-20010012571-A1 Organic electroluminescent device SAMSUNG DISPLAY CO., LTD. (KR) 2001-08-09 US disclosed