SCHEMBL9525256

SCHEMBL9525256

CCCCCCCCOc1ncc(-c2ccc([C@H](O[C@@H](c3ccc(-c4cnc(OCCCCCCCC)nc4)cc3)C3COC(=O)O3)C3COC(=O)O3)cc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.33
RARB P10826 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLA2G2A P14555 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
SLC5A2 P31639 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL9525992 0.85 GPR84 (0.33) MEN1KMT2A
SCHEMBL9528232 0.81 RARB (0.47) RARBMEN1KMT2ATHRATHRB
SCHEMBL9525010 0.80 SLC5A2 (0.30) GCGRSLC5A2
SCHEMBL9525240 0.77 RARB (0.39) RARBMEN1KMT2APLA2G2ATHRA
SCHEMBL9525248 0.77 RARB (0.39) RARBMEN1KMT2APLA2G2ATHRA
SCHEMBL8917939 0.77 ADRA1D (0.31)
SCHEMBL8917931 0.77 ADRA1D (0.31)
SCHEMBL9506148 0.68 CYP2D6 (0.57) RARB
SCHEMBL9506174 0.68 CYP2D6 (0.57) RARB
SCHEMBL9523947 0.67

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-0351746-B1 Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AG (DE) 1993-12-29 EP disclosed
EP-0351746-A1 Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed