SCHEMBL9842585

SCHEMBL9842585

CCCCCCOC1CCC(C(=O)O)(c2ccc(CCc3ccc(F)cc3)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
RARB P10826 3/20 0.36
RXRA P19793 1/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
LSS P48449 2/20 0.36
AGTR2 P50052 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MMP1 P03956 2/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL9842600 1.00 HDAC4 (0.41) HDAC4RARBRXRARARARARG
SCHEMBL9842458 0.99 HDAC4 (0.41) HDAC4RARBRXRARARARARG
SCHEMBL9843144 0.85 ITGB3 (0.39) RARBRARARARGPPARGPPARA
SCHEMBL9842691 0.85 ITGB3 (0.39) RARBRARARARGPPARGPPARA
SCHEMBL9842848 0.85 ITGB3 (0.39) RARBRARARARGPPARGPPARA
SCHEMBL9842463 0.84 MEN1 (0.43) HDAC4RARBRXRARARARARG
SCHEMBL9842634 0.84 THRA (0.33) HDAC4RXRAPPARGPPARAS1PR5
SCHEMBL9842508 0.83 TP53 (0.36) HDAC4RARBRARARARGPPARG
SCHEMBL9842669 0.81 MEN1 (0.46) HDAC4RARBRARAMEN1KMT2A
SCHEMBL9842597 0.80 HDAC4 (0.36) HDAC4

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