SCHEMBL3867780

SCHEMBL3867780

CCCC(c1c[nH]c2ccccc12)S(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.61
FFAR1 O14842 2/20 0.61
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
CYP2D6 P10635 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL10943948 0.80 MAPT (0.56) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL20553142 0.78 GPR84 (0.68) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL4860329 0.78 GPR84 (0.68) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL29678908 0.78 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL11311801 0.77 GPR84 (0.71) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5851244 0.77 GPR84 (1.00) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL14145831 0.77 GPR84 (0.75) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL29863235 0.77 GPR84 (1.00) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL19977011 0.75 GPR84 (0.73) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL9035054 0.75 CYP2C9 (0.41) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19

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-2046895-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE Healthcare AS (NO) 2009-04-15 EP disclosed
WO-2008015415-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE HEALTHCARE AS (NO) 2008-02-07 WO disclosed