SCHEMBL14710596

SCHEMBL14710596

Bc1ccc2cc(C3(C(=O)OC)CC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
HDAC1 Q13547 3/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADAM17 P78536 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL7744850 0.84 OPRM1 (0.56) OPRM1HDAC1HDAC3HDAC7HDAC2
SCHEMBL14710297 0.84 HSD11B1 (0.40) OPRM1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11467518 0.83 OPRM1 (0.46) OPRM1ALDH1A1SMN1; SMN2
SCHEMBL15548256 0.83 KDM4E (0.46) OPRM1LMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL11462401 0.82 LMNA (0.48) OPRM1HDAC1LMNAMEN1KMT2A
SCHEMBL14790321 0.82 OPRM1 (0.42) OPRM1HDAC1LMNAMEN1KMT2A
SCHEMBL15912440 0.82 OPRM1 (0.42) OPRM1HDAC1LMNAMEN1KMT2A
SCHEMBL14710263 0.80 HRH3 (0.45) OPRM1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14710667 0.78 OPRM1 (0.40) OPRM1HDAC1LMNAMEN1KMT2A
SCHEMBL8584110 0.77 ALDH1A1 (0.51) HDAC1LMNAMEN1KMT2AL3MBTL1

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-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed