SCHEMBL9221817

SCHEMBL9221817

CCCC(=O)Oc1ccc(-c2ccc(F)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
GSK3B P49841 1/20 0.41
FFAR1 O14842 1/20 0.41
FAAH O00519 3/20 0.40
ACLY P53396 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.38
RARB P10826 3/20 0.38
RARA P10276 2/20 0.38
RARG P13631 1/20 0.38
GPR17 Q13304 1/20 0.38

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
SCHEMBL9227588 0.92 KDM4E (0.49) ALOX15ALDH1A1MAPTFAAHKDM4E
SCHEMBL9221170 0.88 ACLY (0.50) ALOX15ALDH1A1MAPTFFAR1FAAH
SCHEMBL2003095 0.88 ALOX15 (0.51) ALOX15MAPTFAAHKDM4EMEN1
SCHEMBL9476185 0.82 THRA (0.54) ALOX15FAAHMGLLRARBRARA
SCHEMBL9228685 0.82 ALOX15 (0.40) ALOX15ALDH1A1MAPTFFAR1FAAH
SCHEMBL9227200 0.80 MAPT (0.40) ALDH1A1MAPTFFAR1FAAHACLY
SCHEMBL9223703 0.80 CFD (0.53) ALDH1A1MAPTFFAR1ADORA3ADORA2A
SCHEMBL1997560 0.79 KMT2A (0.54) ALOX15MAPTFAAHKDM4EMEN1
SCHEMBL27740419 0.79 ALOX15 (0.49) ALOX15ALDH1A1MAPTFAAHKDM4E
SCHEMBL5773951 0.79 ALOX15 (0.49) ALOX15ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-B1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed