SCHEMBL22417598

SCHEMBL22417598

C=C(C)C(=O)OC(COC(=O)C(C)(C)CC(=C)C(=O)OCC(COc1ccccc1)OC(O)C(=C)C)COc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.36
▸ CYP2D6 P10635 1/20 0.33
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ MAPT P10636 4/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CASR P41180 1/20 0.31
▸ PRKCA P17252 1/20 0.30
▸ PRKCD Q05655 1/20 0.30

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
SCHEMBL22475348 1.00 AR (0.36) ARCYP2D6MTNR1AMTNR1BMAPT
SCHEMBL11920353 0.92 AR (0.41) ARCYP2D6MTNR1AMTNR1BMAPT
SCHEMBL22475351 0.89 AR (0.39) ARCYP2D6MTNR1AMTNR1BMAPT
SCHEMBL22475354 0.86 AR (0.38) ARCYP2D6MTNR1AMTNR1BMAPT
SCHEMBL21162913 0.84 AR (0.36) ARCYP2D6MTNR1AMTNR1BMAPT
SCHEMBL11920350 0.82 CYP2D6 (0.46) CYP2D6MAPTPOLBMEN1KMT2A
SCHEMBL22417568 0.82 MTNR1A (0.32) CYP2D6MTNR1AMTNR1B
SCHEMBL11920351 0.80 MTNR1A (0.36) MTNR1AMTNR1BPOLB
SCHEMBL22417644 0.79 MTNR1A (0.31) CYP2D6MTNR1AMTNR1B
SCHEMBL21905015 0.79 CYP3A4 (0.38) CYP2D6MTNR1AMTNR1BPOLB

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
EP-2965742-B1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M INNOVATIVE PROPERTIES CO (US) 2020-09-09 — — EP disclosed
Send feedback