SCHEMBL29073240

SCHEMBL29073240

CC(C)(C)c1ccc(-c2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3n2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.37
OPRM1 P35372 1/20 0.37
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
ESR1 P03372 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
DHFR P00374 1/20 0.32
DHODH Q02127 1/20 0.32
TSHR P16473 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT3 P36888 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 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
SCHEMBL29737328 1.00 OPRD1 (0.37) OPRD1OPRM1MAPTALDH1A1NPSR1
SCHEMBL13872587 0.94 ESR1 (0.44) OPRD1OPRM1MAPTALDH1A1NPSR1
SCHEMBL24567372 0.93 OPRD1 (0.39) OPRD1OPRM1MAPTALDH1A1NPSR1
SCHEMBL29737325 0.93 OPRD1 (0.39) OPRD1OPRM1MAPTALDH1A1NPSR1
SCHEMBL29073234 0.92 OPRD1 (0.38) OPRD1OPRM1MAPTALDH1A1NPSR1
SCHEMBL24567330 0.86 KIF11 (0.38) OPRD1OPRM1MAPTALDH1A1NPSR1
SCHEMBL29737348 0.86 KIF11 (0.38) OPRD1OPRM1MAPTALDH1A1NPSR1
SCHEMBL25407748 0.85 ALDH1A1 (0.42) OPRD1OPRM1MAPTALDH1A1NPSR1
SCHEMBL24567064 0.84 ESR1 (0.36) MAPTALDH1A1ESR1DHFRTSHR
SCHEMBL29073258 0.83 KIF11 (0.47) OPRD1OPRM1MAPTALDH1A1NPSR1

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-116783168-A Electrochromic compounds and optical articles comprising the same 依视路国际公司 2023-09-19 CN disclosed