SCHEMBL9123747

SCHEMBL9123747

CCCCCCCCOc1ccc(-c2ccc(CCCC(CCCC)C(F)(F)F)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
MAPT P10636 5/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
CASP3 P42574 2/20 0.60
SENP8 Q96LD8 2/20 0.60
SENP7 Q9BQF6 2/20 0.60
SENP6 Q9GZR1 2/20 0.60
SMN1; SMN2 Q16637 7/20 0.55
NPC1 O15118 5/20 0.55
STAT3 P40763 1/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 4/20 0.52
HTT P42858 1/20 0.52
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MAPK1 P28482 2/20 0.48
PLA2G4A P47712 1/20 0.42

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
SCHEMBL9124144 0.88 RAB9A (0.64) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9124105 0.88 RAB9A (0.64) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9123600 0.88 RAB9A (0.64) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9124532 0.88 RAB9A (0.64) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9124533 0.88 RAB9A (0.64) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL10560647 0.87 RAB9A (0.82) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9513600 0.87 RAB9A (0.82) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL10555392 0.87 RAB9A (0.82) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9435132 0.87 RAB9A (0.82) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9435106 0.87 RAB9A (0.82) RAB9AMAPTL3MBTL1CASP3SENP8

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-0428720-B1 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE MERCK PATENT GMBH (DE) 1995-03-22 EP disclosed
US-5393459-A Optically active compounds, and a liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-28 US disclosed
EP-0428720-A1 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE. MERCK PATENT GMBH (DE) 1991-05-29 EP disclosed
WO-1990013611-A2 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-15 WO disclosed