SCHEMBL9787031

SCHEMBL9787031

Cc1cc[c]c(OCC(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KMT2A Q03164 9/20 0.46
▸ MEN1 O00255 7/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL6491544 0.80 TDP1 (0.49) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL10967749 0.78 TDP1 (0.33) NPC1KMT2AMEN1LMNAL3MBTL1
SCHEMBL9786979 0.77 NPC1 (0.44) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL8948941 0.74 KMT2A (0.61) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL9786976 0.73 MAPT (0.44) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL3599787 0.73 NPC1 (0.58) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL9371798 0.73 L3MBTL1 (0.63) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL13950675 0.73 LMNA (0.57) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL5770727 0.73 L3MBTL1 (0.60) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL3732530 0.71 NPC1 (0.69) NPC1RAB9AKMT2AMEN1LMNA

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-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 — — US disclosed
Send feedback