SCHEMBL9505347

SCHEMBL9505347

CC(C)COC1CCC2C[C@H](OC(=O)c3cc(SCCc4ccc(Cl)cc4)c4c(c3N)C(=O)c3ccccc3C4=O)CC[C@@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CA5A P35218 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
TNF P01375 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL9505344 1.00 CA12 (0.32) CA12CA1CA2CA3CA4
SCHEMBL9505281 0.85 P2RY4 (0.39) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL9505286 0.85 P2RY4 (0.39) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL9501355 0.84 FFAR4 (0.32) KDM4EALDH1A1HPGDNPSR1LMNA
SCHEMBL9501652 0.84 MAPT (0.32) KDM4EALDH1A1HPGDNPSR1LMNA
SCHEMBL9505214 0.84 MEN1 (0.30) ALDH1A1HPGDNPSR1LMNAMAPT
SCHEMBL9501438 0.83 MEN1 (0.31) KDM4EALDH1A1HPGDNPSR1LMNA
SCHEMBL9502321 0.81 ADORA2A (0.39) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL9502326 0.81 ADORA2A (0.39) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL9503219 0.79 SOAT1 (0.34) KDM4EALDH1A1HPGDNPSR1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed
US-4883611-A ANTHRAQUINONE COMPOUND CONTAINING DECAHYDRONAPHTHYL GROUP MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-11-28 US disclosed
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed