SCHEMBL11312466

SCHEMBL11312466

C=CC(CC)OP(=O)(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.39
CFTR P13569 1/20 0.38
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11312193 0.85 ALDH1A1 (0.43) TSHRALOX15POLBL3MBTL1ALDH1A1
SCHEMBL11315410 0.84 TSHR (0.43) TSHRALOX15POLBL3MBTL1ALDH1A1
SCHEMBL11318104 0.79 KCNH2 (0.44) TSHRALOX15POLBL3MBTL1ALDH1A1
SCHEMBL11327694 0.79 CETP (0.38) TSHRALOX15MEN1KMT2A
SCHEMBL11325271 0.79 TSHR (0.47) TSHRALOX15POLBL3MBTL1ALDH1A1
SCHEMBL777952 0.78 L3MBTL1 (0.44) TSHRPOLBL3MBTL1ALDH1A1CFTR
SCHEMBL11312198 0.78 KDM4E (0.36) TSHRALOX15POLBALDH1A1MEN1
SCHEMBL778445 0.77 ALDH1A1 (0.47) TSHRPOLBL3MBTL1ALDH1A1CFTR
SCHEMBL11308516 0.76 TSHR (0.44) TSHRALOX15POLBL3MBTL1ALDH1A1
SCHEMBL27548664 0.76 TSHR (0.38) TSHRALOX15POLBL3MBTL1ALDH1A1

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-4257987-A SYNERGISTIC ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed