SCHEMBL9713112

SCHEMBL9713112

CCOP(=O)(OCC)C(O)c1ccc(C)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
GAA P10253 4/20 0.69
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7166722 0.93 POLB (0.82) POLBGAAMEN1KMT2AL3MBTL1
SCHEMBL2029357 0.84 POLB (0.70) POLBGAAMEN1KMT2AL3MBTL1
SCHEMBL11140297 0.84 POLB (0.70) POLBGAAMEN1KMT2AL3MBTL1
SCHEMBL31232896 0.84 POLB (1.00) POLBGAAL3MBTL1MAPTALDH1A1
SCHEMBL6756690 0.84 POLB (1.00) POLBGAAL3MBTL1MAPTALDH1A1
SCHEMBL11163516 0.83 POLB (0.68) POLBGAAMEN1KMT2AL3MBTL1
SCHEMBL5754367 0.81 CA12 (0.49) POLBGAAMEN1KMT2AL3MBTL1
SCHEMBL7088667 0.81 CA12 (0.49) POLBGAAMEN1KMT2AL3MBTL1
SCHEMBL9136992 0.81 POLB (0.66) POLBGAAMEN1KMT2AL3MBTL1
SCHEMBL15525257 0.81 POLB (0.66) POLBGAAMEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126371-A Precancerous skin conditions, acne, psoriasis BASF AKTEINGESELLSCHAFT (DE) 1992-06-30 US disclosed
EP-0176034-A2 Diaryl acetylenes, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed