SCHEMBL9855264

SCHEMBL9855264

COc1ccccc1OCC(=O)O.O=c1c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
L3MBTL1 Q9Y468 2/20 0.60
GLA P06280 1/20 0.60
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSD17B10 Q99714 2/20 0.54
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
CTSD P07339 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL323801 0.90 POLB (1.00) POLBSMN1; SMN2L3MBTL1GLAKDM4E
Methyl Alcohol SCHEMBL27939411 0.88 POLB (0.96) POLBSMN1; SMN2L3MBTL1GLAKDM4E
SCHEMBL10747304 0.81 POLB (0.71) POLBSMN1; SMN2L3MBTL1GLAKDM4E
SCHEMBL340762 0.80 L3MBTL1 (0.80) POLBSMN1; SMN2L3MBTL1GLAKDM4E
SCHEMBL29682135 0.80 L3MBTL1 (0.80) POLBSMN1; SMN2L3MBTL1GLAKDM4E
Ammonia Solution, Strong SCHEMBL28240461 0.78 L3MBTL1 (0.77) POLBSMN1; SMN2L3MBTL1GLAKDM4E
SCHEMBL10509566 0.77 SMN1; SMN2 (0.75) POLBSMN1; SMN2L3MBTL1GLAALDH1A1
SCHEMBL11637037 0.76 POLB (0.54) POLBSMN1; SMN2L3MBTL1GLAKDM4E
SCHEMBL5181008 0.75 L3MBTL1 (1.00) POLBSMN1; SMN2L3MBTL1GLAKDM4E
SCHEMBL7406459 0.75 SMN1; SMN2 (0.72) POLBSMN1; SMN2L3MBTL1GLAALDH1A1

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
EP-0263492-B1 RETINOIDS, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP claimed
US-4900478-A SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-02-13 US disclosed