SCHEMBL4645730

SCHEMBL4645730

CCC(O)C1CN(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GRM2 Q14416 5/20 0.40
PNKP Q96T60 1/20 0.39
ALOX5 P09917 2/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MT-CO2 P00403 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL8790545 0.78 MEN1 (0.48) MEN1KMT2ANPC1RAB9AGRM2
SCHEMBL3841236 0.69 ROCK2 (0.46) MEN1KMT2ANPC1RAB9AGRM2
SCHEMBL12616867 0.68 GRM2 (0.40) NPC1GRM2ALOX5DDB1CRBN
SCHEMBL21822034 0.67 NPC1 (0.46) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL15319458 0.67 DDB1 (0.41) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL15319457 0.67 DDB1 (0.41) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL4645724 0.67 GRM2 (0.41) MEN1KMT2ANPC1RAB9AGRM2
SCHEMBL27766792 0.67 DDB1 (0.40) MEN1KMT2ANPC1RAB9AALOX5
SCHEMBL28849120 0.66 ROCK2 (0.46) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL5872162 0.66 MEN1 (0.42) MEN1KMT2ANPC1RAB9APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
EP-1682499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2006-07-26 EP disclosed
WO-2005047248-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2005-05-26 WO disclosed