SCHEMBL8969725

SCHEMBL8969725

CCCCCc1ccc(-c2ccc(-c3ccc(OCC)nc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RARB P10826 5/20 0.46
TSHR P16473 1/20 0.46
RARA P10276 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL9720092 0.89 MAPT (0.52) MAPTRAB9AL3MBTL1HSD17B10ALDH1A1
SCHEMBL16479585 0.88 CASP3 (0.54) MAPTRAB9AL3MBTL1HSD17B10ALDH1A1
SCHEMBL17795639 0.86 MAPT (0.52) MAPTRAB9AL3MBTL1HSD17B10ALDH1A1
SCHEMBL8651956 0.83 MAPT (0.47) MAPTRAB9AL3MBTL1HSD17B10ALDH1A1
SCHEMBL9155978 0.82 MAPT (0.46) MAPTRAB9AL3MBTL1HSD17B10ALDH1A1
SCHEMBL9159044 0.82 RAB9A (0.46) MAPTRAB9AL3MBTL1HSD17B10ALDH1A1
SCHEMBL5530443 0.82 RAB9A (0.53) MAPTRAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL9158713 0.81 MAPT (0.48) MAPTRAB9AL3MBTL1HSD17B10ALDH1A1
SCHEMBL1662258 0.81 PIK3CD (0.55) MAPTCYP19A1PIK3CDPIK3CAPIK3CB
SCHEMBL8969875 0.81 MAPT (0.46) MAPTRAB9AL3MBTL1HSD17B10ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445257-B1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 1996-03-13 EP disclosed
US-5204477-A PYRIDINE DERIVATIVES IN LIQUID CRYSTALLINE MEDIUM USEFUL FOR ELECTROOPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0445257-A1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
WO-1991004249-A1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed