SCHEMBL4235841

SCHEMBL4235841

C=CCCCCCCCCCNCCCCCCCCC=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ABCC4 O15439 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
TRPA1 O75762 2/20 0.39
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
CA12 O43570 2/20 0.36
F13A1 P00488 2/20 0.36
CA2 P00918 2/20 0.36
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
THPO P40225 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36

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
SCHEMBL30370693 1.00 TSHR (0.50) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL30366612 1.00 TSHR (0.50) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL1678269 1.00 TSHR (0.50) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL9282562 1.00 TSHR (0.50) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL1241873 0.97 TSHR (0.46) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL28457803 0.90 CA12 (0.50) TSHRMAPTALDH1A1LMNACA12
SCHEMBL22753257 0.88 TSHR (0.73) TSHRALDH1A1
SCHEMBL22117200 0.88 TSHR (0.41) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL21568894 0.88 TSHR (0.65) TSHRALDH1A1LMNACYP1A2CYP2C19
SCHEMBL22117222 0.88 TSHR (0.41) TSHRABCC4MAPTALDH1A1LMNA

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
WO-2009134822-A2 FLUORESCENT ORGANIC NANOPARTICLES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-11-05 WO disclosed