SCHEMBL9842572

SCHEMBL9842572

CCCCO[C@H]1CC[C@H](OC(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.51
RARA P10276 3/20 0.51
NAAA Q02083 4/20 0.47
RARG P13631 2/20 0.44
NPC1 O15118 1/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
ASAH1 Q13510 1/20 0.38
CRBN Q96SW2 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PKM P14618 1/20 0.36
LSS P48449 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 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
SCHEMBL9842642 0.97 RARB (0.47) RARBRARANAAARARGNPC1
SCHEMBL9842492 0.96 RARB (0.47) RARBRARANAAARARGNPC1
SCHEMBL9842673 0.93 NAAA (0.47) RARBRARANAAARARGNPC1
SCHEMBL9842436 0.89 NAAA (0.49) RARBRARANAAARARGNPC1
SCHEMBL9842742 0.86 RARB (0.46) RARBRARANAAARARGNPC1
SCHEMBL9842414 0.85 RARB (0.46) RARBRARANAAARARGNPC1
SCHEMBL11105637 0.84 ALDH1A1 (0.46) RARBLSSTSHR
SCHEMBL9842556 0.84 RARB (0.47) RARBRARANAAARARGNPC1
SCHEMBL9842439 0.84 NAAA (0.47) RARBRARANAAARARGNPC1
SCHEMBL11097830 0.81 ALDH1A1 (0.46) RARBNPC1LSS

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