SCHEMBL17318311

SCHEMBL17318311

O=[N+]([O-])C(CCO)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.32
TP53 P04637 1/20 0.32
GSR P00390 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SHBG P04278 1/20 0.30

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
SCHEMBL2370498 0.84 EPHX1 (0.34) EPHX1TP53GSRKDM4EGMNN
SCHEMBL3017799 0.75 EPHX2 (0.43) TP53KDM4ELMNAMAPTALDH1A1
SCHEMBL3715069 0.73
SCHEMBL27978544 0.73
SCHEMBL7590908 0.72
SCHEMBL7596579 0.72
SCHEMBL7597510 0.72
SCHEMBL19976650 0.69 EPHX1 (0.45) EPHX1MAPTSMN1; SMN2
SCHEMBL7592242 0.69 MEN1 (0.30)
SCHEMBL31483805 0.68 EPHX1 (0.36) EPHX1TP53GSRKDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3151820-A1 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-04-12 EP disclosed
WO-2015188085-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2015-12-10 WO disclosed