SCHEMBL9842516

SCHEMBL9842516

C=CCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(F)cc3)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
LSS P48449 1/20 0.34
F10 P00742 1/20 0.33
KMT2A Q03164 3/20 0.33
F2 P00734 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
APP P05067 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
MMP12 P39900 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
FAAH O00519 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL9842603 0.87 RARB (0.39) RORCATMFAAH
SCHEMBL9842608 0.86 RARB (0.40) RORCFAAHPTGS2
SCHEMBL9842649 0.86 RARB (0.40) RORCFAAHPTGS2
SCHEMBL9842792 0.86 RARB (0.40) RORCFAAHPTGS2
SCHEMBL9842569 0.86 RARB (0.40) RORCFAAHPTGS2
SCHEMBL9842479 0.86 RARB (0.40) RORCFAAHPTGS2
SCHEMBL9842698 0.86 TP53 (0.40) KMT2AHTTKDM4EHPGDATM
SCHEMBL9250383 0.84 KMT2A (0.44) LSSKMT2AF2L3MBTL1HTT
SCHEMBL9250388 0.84 KMT2A (0.44) LSSKMT2AF2L3MBTL1HTT
SCHEMBL9246187 0.83 KMT2A (0.38) LSSKMT2AF2L3MBTL1HTT

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-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