SCHEMBL7749260

SCHEMBL7749260

[CH2]C(CC)OC(=O)NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TAAR1 Q96RJ0 3/20 0.52
GAA P10253 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 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
SCHEMBL22890979 0.84 POLB (0.55) POLBNPC1RAB9ATAAR1GAA
SCHEMBL19508785 0.81 NPC1 (0.57) POLBNPC1RAB9ATAAR1GAA
SCHEMBL22500116 0.79 KMT2A (0.57) POLBNPC1RAB9ATAAR1GAA
SCHEMBL828721 0.78 NPC1 (0.54) POLBNPC1RAB9ATAAR1GAA
SCHEMBL2095490 0.77 TAAR1 (0.69) NPC1RAB9ATAAR1GAAHDAC3
SCHEMBL19509287 0.77 NPC1 (0.54) POLBNPC1RAB9ATAAR1GAA
SCHEMBL158220 0.76 HDAC3 (0.78) POLBNPC1RAB9ATAAR1GAA
SCHEMBL2095487 0.76 NPC1 (0.58) NPC1RAB9ATAAR1GAAHDAC3
SCHEMBL7750550 0.75 RAB9A (0.49) NPC1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL12478845 0.75 NPC1 (0.50) NPC1RAB9ATAAR1GAAHDAC3

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-6255120-B1 HYDROXYAMIDES ATTACHED TO SOLID SUPPORT PHARMACOPEIA, INC. 2001-07-03 US claimed