SCHEMBL9561850

SCHEMBL9561850

CCCCCCC(F)COc1ccc(C(=O)Cl)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MAPT P10636 3/20 0.36
THRA P10827 3/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G4B P0C869 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9561846 1.00 THRB (0.36) THRBPRSS1PRSS2PRSS3MAPT
SCHEMBL9562079 0.89 ALDH1A1 (0.41) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL9561548 0.87 PRSS1 (0.38) THRBPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL9346741 0.83 THRB (0.48) THRBMAPTTHRACNR1CNR2
SCHEMBL9346722 0.83 THRB (0.48) THRBMAPTTHRACNR1CNR2
SCHEMBL9562081 0.80 THRB (0.43) THRBMAPTTHRAPPARGS1PR3
SCHEMBL9341888 0.77 KDM4E (0.42) MAPTALDH1A1LMNACYP3A4CYP2C9
SCHEMBL9561526 0.76 THRB (0.33) THRBPRSS1PRSS2PRSS3PPARG
SCHEMBL17712582 0.76 CNR1 (0.43) THRBMAPTTHRACNR1CNR2
SCHEMBL8375387 0.73 KMT2A (0.53) PRSS1PRSS2PRSS3MAPTALDH1A1

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
US-5232624-A Components of tilted smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed