SCHEMBL6863

SCHEMBL6863

Cc1noc(-c2ccc(-c3ccc(OC(=O)C4CC4)cc3)cc2)c1CSCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
MAP2K1 Q02750 1/20 0.41
ELANE P08246 2/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LPAR1 Q92633 3/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
POLB P06746 1/20 0.36
JAK2 O60674 2/20 0.36
AR P10275 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL6173 0.77 LPAR1 (0.51) SLC6A9SLCO1B1L3MBTL1LPAR1LPAR2
SCHEMBL1830 0.77 SLC6A9 (0.40) SLC6A9ELANESLCO1B1L3MBTL1LPAR1
SCHEMBL6451 0.75 OPRM1 (0.43) SLCO1B1LPAR1LMNATDP1
SCHEMBL18597843 0.71 MMP12 (0.41) L3MBTL1LPAR1LPAR2LPAR3HTT
SCHEMBL7260 0.71 PTGER1 (0.50) LPAR1LPAR2LPAR3
SCHEMBL7024 0.71 LPAR1 (0.48) L3MBTL1LPAR1LPAR2LPAR3HTT
SCHEMBL7569 0.70 AR (0.36) SLC6A9L3MBTL1LPAR1LPAR2LPAR3
SCHEMBL6948 0.70 AR (0.36) SLC6A9L3MBTL1LPAR1LPAR2LPAR3
SCHEMBL6949 0.70 AR (0.36) SLC6A9L3MBTL1LPAR1LPAR2LPAR3
SCHEMBL18597994 0.70 LPAR1 (0.48) LPAR1LPAR2LPAR3HTTLMNA

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-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed