SCHEMBL9667488

SCHEMBL9667488

CCCCCCCCCOc1cscc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.40
THRB P10828 4/20 0.40
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR5A1 Q13285 1/20 0.38
TSHR P16473 1/20 0.38
SMPD1 P17405 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYSLTR2 Q9NS75 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
SCHEMBL2745120 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL9508243 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL5057971 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL739382 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL2745290 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL741426 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL738622 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL739572 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL2744960 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL2745110 0.86 NR5A1 (0.44) MEN1NR1I2LMNACHRM2CYP3A4

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
EP-0510473-A1 Thienyl-nonatetraenoic acid derivatives with anti-rheumatic activity F. HOFFMANN-LA ROCHE AG (CH) 1992-10-28 EP disclosed