SCHEMBL5198675

SCHEMBL5198675

C=Cc1ccc(OC(CCC)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
AOC3 Q16853 2/20 0.35
RELA Q04206 1/20 0.34
SLC6A4 P31645 5/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL5197979 0.80 TAS1R3 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL5198305 0.77 ALDH1A1 (0.42) MEN1KMT2ATAAR1LTB4RLTB4R2
SCHEMBL233718 0.75 ALDH1A1 (0.46) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL18154475 0.75 TAS1R3 (0.44) TAS1R3TAS1R1MEN1KMT2ACHRNB2
SCHEMBL7181023 0.74 MEN1 (0.41) MEN1KMT2ATAAR1LTB4RLTB4R2
SCHEMBL6885143 0.73 LTB4R (0.51) LTB4RLTB4R2ALDH1A1TSHR
SCHEMBL3032255 0.73 TAS1R3 (0.43) TAS1R3TAS1R1MEN1KMT2ACHRNB2
SCHEMBL6779557 0.72 LMNA (0.36) TAS1R3TAS1R1MEN1KMT2ACHRNB2
SCHEMBL6286602 0.72 TAS1R3 (0.42) TAS1R3TAS1R1MEN1KMT2ALTB4R
SCHEMBL7209895 0.71 SLC6A4 (0.40) MEN1KMT2ATAAR1LTB4RLTB4R2

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
EP-1481981-B1 Styrene hypophosphite adduct, preparation thereof and use CLARIANT PRODUKTE DEUTSCHLAND (DE) 2007-08-15 EP disclosed
EP-1481981-A2 Styrene hypophosphite adduct, preparation thereof and use Clariant GmbH (DE) 2004-12-01 EP disclosed