SCHEMBL12696163

SCHEMBL12696163

CCCCc1ccc(-c2ccc(-c3ccc(CCCC)cc3)c3nsnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.44
▸ RARB P10826 4/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NISCH Q9Y2I1 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CA2 P00918 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 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
SCHEMBL17694336 0.93 KDM4E (0.48) HSD11B1RARBRAB9AKDM4ESMN1; SMN2
SCHEMBL18462105 0.85 HSD11B1 (0.40) HSD11B1RARBRAB9AKDM4ENISCH
SCHEMBL18418545 0.82 RARB (0.53) HSD11B1RARBRAB9AKDM4ESMN1; SMN2
SCHEMBL21815406 0.81 NISCH (0.35) RAB9AKDM4ENISCHNPC1CA2
SCHEMBL21815405 0.81 NISCH (0.35) RAB9AKDM4ENISCHNPC1CA2
SCHEMBL17694326 0.81 BDKRB2 (0.40) HSD11B1RARBRAB9AKDM4EMAPT
SCHEMBL22238940 0.80 SKP2 (0.36) HSD11B1RARBRAB9AKDM4ENISCH
SCHEMBL12374382 0.80 HSD11B1 (0.45) HSD11B1RARBRAB9AKDM4ENISCH
SCHEMBL16265324 0.78 RARB (0.52) HSD11B1RARBRAB9AKDM4ESMN1; SMN2
SCHEMBL17694334 0.76 HSD11B1 (0.42) HSD11B1RARBRAB9AKDM4ESMN1; 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
WO-2012126570-A1 COMPOSITIONS FOR A LIQUID CRYSTALLINE MEDIUM AND APPLICATION THEREOF IN HIGH FREQUENCY COMPONENTS MERCK PATENT GMBH (DE) 2012-09-27 — — WO disclosed
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