SCHEMBL7152245

SCHEMBL7152245

C1COC(CCCC2CCCO2)OC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 5/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL6450396 0.89 EPHX1 (0.50) EPHX1LMNAPOLBUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL11412369 0.84 EPHX1 (0.46) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL27454583 0.82 LMNA (0.40) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL3684347 0.81 EPHX1 (0.60) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL15822139 0.81 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL13294283 0.81 EPHX1 (0.60) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL970008 0.80
SCHEMBL18864356 0.80
SCHEMBL11412372 0.80 EPHX1 (0.43) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL969836 0.78 EPHX1 (0.47) EPHX1LMNAPOLBUSP2SMN1; SMN2

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-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO disclosed