SCHEMBL20157748

SCHEMBL20157748

CCOC(=O)CCN(C(=O)OC)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.35
EPHX2 P34913 2/20 0.34
EHMT2 Q96KQ7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR119 Q8TDV5 3/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ACACB O00763 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15297554 0.78 NR1H2 (0.40) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL26637275 0.77 GPR119 (0.39) EPHX2ALDH1A1TSHRMEN1KMT2A
SCHEMBL15297743 0.77 GPR119 (0.43) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL22999775 0.75 NR1H2 (0.39) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL31247881 0.75 EHMT2 (0.39) EPHX2EHMT2ALDH1A1TSHRMEN1
SCHEMBL22317711 0.74 NR1H2 (0.40) EPHX2EHMT2ALDH1A1TSHRMEN1
SCHEMBL22999796 0.74 EPHX1 (0.42) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL6488909 0.72 NFKB1 (0.39) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL26092527 0.72 NR1H2 (0.35) EPHX2EHMT2ALDH1A1TSHRMEN1
SCHEMBL30487540 0.72 STS (0.35) CETPEHMT2ALDH1A1MEN1KMT2A

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
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed