SCHEMBL14711330

SCHEMBL14711330

CNc1ccc(-c2ccc(C3(C(=O)OC)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
P2RY1 P47900 1/20 0.39
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
HSD11B1 P28845 1/20 0.37
LPAR1 Q92633 2/20 0.37
HDAC1 Q13547 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL1678709 0.83 HRH3 (0.46) HRH3MAPTKDM4EHSD11B1LPAR1
SCHEMBL14710263 0.82 HRH3 (0.45) HRH3P2RY1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL14712065 0.82 HRH3 (0.45) HRH3MAPTALDH1A1SMN1; SMN2HSD11B1
SCHEMBL4858551 0.79 MAPT (0.55) P2RY1MAPTALDH1A1KDM4EGFER
SCHEMBL844453 0.78 OPRM1 (0.53) HRH3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL1464894 0.78 CA12 (0.44) HRH3P2RY1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL5674433 0.76 CA12 (0.45) P2RY1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL14712079 0.76 HRH3 (0.49) HRH3MAPTALDH1A1KDM4EMAPK1
SCHEMBL14710297 0.76 HSD11B1 (0.40) HRH3P2RY1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL20601546 0.76 OPRM1 (0.52) HRH3P2RY1MAPTALDH1A1SMN1; 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-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed