SCHEMBL7154414

SCHEMBL7154414

C=C(C)C(=O)OCCC.C=C(C=CC(=O)O)C(=O)OCCCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
HCAR2 Q8TDS4 5/20 0.53
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3920654 0.93 TSHR (0.69) TSHRHCAR2THRBATMPOLB
Methacrylic Acid SCHEMBL794956 0.91 HCAR2 (0.56) TSHRHCAR2THRBATMPOLB
Maleic Acid SCHEMBL10768270 0.91 TSHR (0.68) TSHRHCAR2THRBATMPOLB
Fumaric Acid SCHEMBL10768275 0.91 TSHR (0.68) TSHRHCAR2THRBATMPOLB
SCHEMBL1078981 0.91 HCAR2 (0.62) TSHRHCAR2ATMTDP1ALDH1A1
SCHEMBL7156680 0.90 TSHR (0.53) TSHRHCAR2THRBATMPOLB
SCHEMBL459919 0.90 HCAR2 (0.51) TSHRHCAR2THRBATMPOLB
SCHEMBL1368608 0.87 HCAR2 (0.60) TSHRHCAR2THRBATMHPGD
SCHEMBL17997323 0.87 TSHR (0.49) TSHRHCAR2THRBATMPOLB
SCHEMBL6053168 0.87 TSHR (0.49) TSHRHCAR2THRBATMPOLB

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-6537577-B1 Method of prophylaxis for bovine mastitis BIO MEDICAL DEVELOPMENT CORPORATION 2003-03-25 US disclosed