SCHEMBL14207667

SCHEMBL14207667

CCOC(=O)C1CCC(c2ccc(C#Cc3ccc(C(C)C)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 10/20 0.48
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL14231794 0.89 NPC1 (0.44) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL12769375 0.82 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL22852265 0.79 LMNA (0.46) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL13186435 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL27595975 0.77 NPC1 (0.41) ACACBALDH1A1KMT2AGAA
SCHEMBL16477198 0.76 MEN1 (0.44) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15897682 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL2548786 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL11468493 0.76 MEN1 (0.55) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7719203 0.76 MEN1 (0.55) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351451-B2 Anthraquinone compound, liquid crystal composition, cell and display device employing the same FUJIFILM CORPORATION (JP) 2008-04-01 — — US disclosed
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