SCHEMBL9842474

SCHEMBL9842474

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.38
FFAR4 Q5NUL3 2/20 0.37
DPP4 P27487 1/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL9842564 0.95 FFAR4 (0.39) APPFFAR4DPP4KMT2AHTT
SCHEMBL9842513 0.93 RARB (0.40) APPFFAR4DPP4KMT2AHTT
SCHEMBL9842435 0.92 APP (0.40) APPFFAR4DPP4KMT2AHTT
SCHEMBL9842653 0.92 RARB (0.41) APPFFAR4
SCHEMBL9842639 0.92 RARB (0.41) APPFFAR4
SCHEMBL9842705 0.92 RARB (0.41) APPFFAR4
SCHEMBL9842488 0.92 RARB (0.41) APPFFAR4
SCHEMBL9842354 0.92 RARB (0.41) APPFFAR4
SCHEMBL11102586 0.88 KMT2A (0.44) KMT2AHTTTDP1ALDH1A1SMN1; SMN2
SCHEMBL11102589 0.88 KMT2A (0.44) KMT2AHTTTDP1ALDH1A1SMN1; 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