SCHEMBL224062

SCHEMBL224062

CC1(CCCS(=O)(=O)O)C=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TBXA2R P21731 1/20 0.32
CYP26B1 Q9NR63 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL2912341 0.84 CYP26B1 (0.37) S1PR3ALDH1A1TBXA2RCYP26B1PKM
SCHEMBL1656487 0.82 ALDH1A1 (0.36) ALDH1A1TBXA2RFABP4
SCHEMBL31164954 0.81
SCHEMBL178258 0.79 ALDH1A1 (0.32) ALDH1A1TBXA2RCYP26B1PKMMAPK1
SCHEMBL31657046 0.77 S1PR3 (0.32) S1PR3
SCHEMBL12952231 0.76 ADRB2 (0.32) ALDH1A1TBXA2RCYP26B1PKM
SCHEMBL1656937 0.75 ADRB2 (0.33) ALDH1A1TBXA2RCYP26B1PKMMAPK1
SCHEMBL559885 0.74 ADRB2 (0.33) ALDH1A1TBXA2RCYP26B1PKM
SCHEMBL559886 0.74 ADRB2 (0.33) ALDH1A1TBXA2RCYP26B1PKM
SCHEMBL47248 0.72 MEN1 (0.39) S1PR3ALDH1A1TBXA2RCYP26B1PKM

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-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed