SCHEMBL9842463

SCHEMBL9842463

CCCCCOC1CCC(C(=O)O)(c2ccc(CCc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.38
RARB P10826 3/20 0.35
DRD4 P21917 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HDAC4 P56524 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
REN P00797 2/20 0.34
KCNH2 Q12809 2/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
APP P05067 2/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL9842669 0.97 MEN1 (0.46) MEN1KMT2ATSHRRARBDRD4
SCHEMBL9842343 0.93 TSHR (0.43) MEN1KMT2ATSHRDRD4TMEM97
SCHEMBL9842791 0.89 ALDH1A1 (0.39) MEN1KMT2ATSHRDRD4TMEM97
SCHEMBL9842458 0.85 HDAC4 (0.41) MEN1KMT2ARARBRARARARG
SCHEMBL9842701 0.85 MEN1 (0.40) MEN1KMT2ATSHRRARBRARA
SCHEMBL9842600 0.84 HDAC4 (0.41) MEN1KMT2ARARBRARARARG
SCHEMBL9842585 0.84 HDAC4 (0.41) MEN1KMT2ARARBRARARARG
SCHEMBL9842432 0.84 MEN1 (0.40) MEN1KMT2ATSHRRARBRARA
SCHEMBL9842790 0.84 MEN1 (0.40) MEN1KMT2ATSHRRARBRARA
SCHEMBL9842223 0.83 MEN1 (0.41) MEN1KMT2ATSHRRARBRARA

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