SCHEMBL19733484

SCHEMBL19733484

CCCCCCCCCCCCC1CCC(S(=O)(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.49
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
LSS P48449 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL11362435 0.92 POLB (0.49) HTTMEN1KMT2APKMPOLB
Sulfuric Acid SCHEMBL27592559 0.86 CYP1A2 (0.48) HTTMEN1KMT2APKMPOLB
SCHEMBL21101860 0.84 LMNA (0.41) HTTMEN1KMT2APKMPOLB
SCHEMBL6753550 0.83 HTT (0.45) HTTMEN1KMT2APKMPOLB
Sulfuric Acid SCHEMBL8492259 0.81 CYP1A2 (0.54) HTTMEN1KMT2APKMTP53
SCHEMBL18596870 0.81 CYP1A2 (0.41) LSSCYP1A2CA1CA2EPHX1
SCHEMBL5807045 0.79 CYP1A2 (0.59) HTTMEN1KMT2APKMTP53
SCHEMBL2048536 0.79
SCHEMBL6031279 0.79 CYP1A2 (0.59) HTTMEN1KMT2APKMTP53
SCHEMBL1847927 0.79 CYP1A2 (0.59) HTTMEN1KMT2APKMTP53

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-20170363984-A1 TONER COMPOSITIONS AND COMPRISING CRYSTALLINE POLYESTER AND WAX XEROX CORPORATION 2017-12-21 US disclosed