Sugi Predict

Sugi Predict / Compounds / SCHEMBL11800802

SCHEMBL11800802

SCHEMBL11800802

C=C(C)C(=O)OC(CCCC)N(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.42
▸ MAPT P10636 1/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ FAAH O00519 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
SCHEMBL500186 0.85 TSHR (0.43) TSHRCA2CA1THRBALDH1A1
SCHEMBL499702 0.83 TSHR (0.42) TSHRCA2CA1THRBALDH1A1
SCHEMBL15756037 0.81 TSHR (0.46) TSHRMAPTCA2CA1THRB
SCHEMBL5053972 0.80 TSHR (0.46) TSHRMAPTCA1FAAH
SCHEMBL499942 0.79 TSHR (0.49) TSHRMAPTCA2FAAH
SCHEMBL499655 0.79 TSHR (0.45) TSHRMAPTCA1FAAH
SCHEMBL8101073 0.79 TSHR (0.49) TSHRMAPTCA2FAAH
SCHEMBL11785301 0.79 TSHR (0.49) TSHRMAPTCA2FAAH
SCHEMBL499761 0.79 TSHR (0.49) TSHRMAPTCA2FAAH
SCHEMBL499571 0.79 TSHR (0.49) TSHRMAPTCA2FAAH

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-3933542-A Rocket propellant with acrylate binder and difluoroamino plasticizer THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-01-20 — — US claimed