SCHEMBL9842435

SCHEMBL9842435

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.40
DPP4 P27487 1/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 3/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F10 P00742 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 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
SCHEMBL9842474 0.92 APP (0.38) APPDPP4KMT2AHTTKDM4E
SCHEMBL9842564 0.91 FFAR4 (0.39) APPDPP4KMT2AHTTKDM4E
SCHEMBL9842513 0.90 RARB (0.40) APPDPP4KMT2AHTTKDM4E
SCHEMBL9842653 0.89 RARB (0.41) APPFFAR4
SCHEMBL9842639 0.89 RARB (0.41) APPFFAR4
SCHEMBL9842354 0.89 RARB (0.41) APPFFAR4
SCHEMBL9842488 0.89 RARB (0.41) APPFFAR4
SCHEMBL9842705 0.89 RARB (0.41) APPFFAR4
SCHEMBL9842371 0.87 CA2 (0.39) APPDPP4KMT2AHTTKDM4E
SCHEMBL11105083 0.87 KMT2A (0.47) KMT2AHTTHPGDTDP1SMN1; SMN2

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