SCHEMBL8466684

SCHEMBL8466684

COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(CCCc2ncc[nH]2)Cc2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
LPAR2 Q9HBW0 3/20 0.39
AVPR1A P37288 4/20 0.38
AVPR1B P47901 1/20 0.38
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6571491 0.82 AVPR1A (0.42) LPAR1AVPR1AAVPR1B
SCHEMBL6571483 0.82 AVPR1A (0.42) LPAR1AVPR1AAVPR1B
SCHEMBL6570407 0.82 LPAR1 (0.46) LPAR1HTTLPAR2MAPK1L3MBTL1
SCHEMBL1492154 0.80 LPAR1 (0.39) LPAR1KDM4EHTTLPAR2AVPR1A
SCHEMBL6472382 0.80 LPAR1 (0.39) LPAR1KDM4EHTTLPAR2AVPR1A
SCHEMBL6573735 0.80 KDM4E (0.42) LPAR1KDM4EGAAHTTMAPK1
SCHEMBL6573744 0.80 KDM4E (0.42) LPAR1KDM4EGAAHTTMAPK1
Timcodar SCHEMBL1492143 0.77 L3MBTL1 (0.37) LPAR1HTTMAPK1L3MBTL1ALDH1A1
SCHEMBL6570448 0.77 L3MBTL1 (0.37) LPAR1HTTMAPK1L3MBTL1ALDH1A1
Timcodar SCHEMBL3673444 0.77 L3MBTL1 (0.37) LPAR1HTTMAPK1L3MBTL1ALDH1A1

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-0946190-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-10-06 EP disclosed
WO-1998020891-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO disclosed