SCHEMBL9842458

SCHEMBL9842458

CCCCCOC1CCC(C(=O)O)(c2ccc(CCc3ccc(F)cc3)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
RXRA P19793 1/20 0.36
RARB P10826 3/20 0.35
AGTR2 P50052 1/20 0.35
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
LSS P48449 2/20 0.34
MMP1 P03956 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
BACE1 P56817 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 0.99 HDAC4 (0.41) HDAC4RXRARARBAGTR2RARA
SCHEMBL9842585 0.99 HDAC4 (0.41) HDAC4RXRARARBAGTR2RARA
SCHEMBL9842463 0.85 MEN1 (0.43) HDAC4RXRARARBRARARARG
SCHEMBL9842848 0.84 ITGB3 (0.39) RARBRARARARGPPARGPPARA
SCHEMBL9843144 0.84 ITGB3 (0.39) RARBRARARARGPPARGPPARA
SCHEMBL9842691 0.84 ITGB3 (0.39) RARBRARARARGPPARGPPARA
SCHEMBL9842508 0.84 TP53 (0.36) HDAC4RARBRARARARGKMT2A
SCHEMBL9842634 0.83 THRA (0.33) HDAC4RXRAPPARGPPARA
SCHEMBL9842669 0.82 MEN1 (0.46) HDAC4RARBRARAMEN1KMT2A
SCHEMBL9842597 0.81 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