SCHEMBL8765620

SCHEMBL8765620

Cc1cccc(C2(c3cccc(C)c3)CCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.55
HSD11B2 P80365 1/20 0.55
ESR1 P03372 3/20 0.52
ESR2 Q92731 3/20 0.52
HDAC4 P56524 1/20 0.51
ACHE P22303 2/20 0.47
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 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
SCHEMBL12893176 0.88 ESR1 (0.65) HSD11B1HSD11B2ESR1ESR2HDAC4
SCHEMBL12893170 0.88 ESR1 (0.65) HSD11B1HSD11B2ESR1ESR2HDAC4
SCHEMBL12893314 0.85 ESR1 (0.79) HSD11B1HSD11B2ESR1ESR2HDAC4
SCHEMBL12893195 0.85 HSD11B1 (0.45) HSD11B1HSD11B2ESR1ESR2HDAC4
SCHEMBL19528272 0.85 ESR1 (0.79) HSD11B1HSD11B2ESR1ESR2HDAC4
SCHEMBL23221330 0.85 ESR1 (0.79) HSD11B1HSD11B2ESR1ESR2HDAC4
SCHEMBL12893194 0.82 HSD11B1 (0.45) HSD11B1HSD11B2ESR1ESR2HDAC4
SCHEMBL16029802 0.82 HDAC4 (0.50) HSD11B1HSD11B2HDAC4ACHEHTR2C
SCHEMBL9149484 0.80 OPRM1 (0.55) HSD11B1HSD11B2HDAC4ACHEALDH1A1
SCHEMBL13061001 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601813-B1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed
US-5382688-A Diamino compounds and their production method CHISSO CORPORATION (JP) 1995-01-17 US disclosed
EP-0601813-A1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1994-06-15 EP disclosed