SCHEMBL10694507

SCHEMBL10694507

CCNC(=O)C(OC(C)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
KCNN4 O15554 2/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL10692273 0.85 TSHR (0.43) LMNAL3MBTL1SMN1; SMN2RIPK1ALDH1A1
SCHEMBL10691473 0.84 RIPK1 (0.53) LMNARAB9ASMN1; SMN2RIPK1ALDH1A1
SCHEMBL10692590 0.82 ALDH1A1 (0.42) LMNAHTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9501899 0.82 MMP8 (0.50) CYP2C19NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10694465 0.80 SMN1; SMN2 (0.54) LMNAHTTL3MBTL1NPC1RAB9A
SCHEMBL10692779 0.80 POLB (0.61) CNR1CYP2C19L3MBTL1NPC1RAB9A
SCHEMBL10994453 0.80 ACSS2 (0.41) CNR1CNR2LMNAMTNR1AMTNR1B
SCHEMBL10694310 0.79 HDAC3 (0.43) CNR1CNR2KCNN4CYP2C19HIF1A
SCHEMBL10692252 0.79 MEN1 (0.46) CYP2C19LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL10694706 0.79 POLB (0.56) CYP2C19LMNAL3MBTL1SMN1; SMN2ALDH1A1

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed