SCHEMBL20145783

SCHEMBL20145783

CCCCCCCCCCCCCCCCCOCCCS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.50
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
CA9 Q16790 8/20 0.47
CA12 O43570 3/20 0.47
CA7 P43166 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
RECQL P46063 2/20 0.45
CES2 O00748 2/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL21357699 0.86 ALDH1A1 (0.42) PLA2G2CMEN1THRBHTTKMT2A
SCHEMBL8941684 0.86 ALDH1A1 (0.42) PLA2G2CMEN1THRBHTTKMT2A
SCHEMBL10693136 0.84 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL5442905 0.84 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL27476512 0.82 MEN1 (0.58) PLA2G2CMEN1THRBHTTKMT2A
SCHEMBL27437848 0.82 MEN1 (0.58) PLA2G2CMEN1THRBHTTKMT2A
SCHEMBL8663677 0.81 FAAH (0.59) THRBCA2CES2TSHRFAAH
SCHEMBL4942567 0.81 FAAH (0.59) THRBCA2CES2TSHRFAAH
SCHEMBL8892986 0.81 FAAH (0.59) THRBCA2CES2TSHRFAAH
SCHEMBL11390770 0.81 FAAH (0.59) THRBCA2CES2TSHRFAAH

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
EP-3320776-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL AND BACTERIAL DISEASES IN PLANTS Bayer CropScience LP (US) 2018-05-16 EP disclosed