SCHEMBL11322784

SCHEMBL11322784

CC(OCCC#N)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GAA P10253 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LMNA P02545 2/20 0.34
PBRM1 Q86U86 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNA3 P22001 1/20 0.32
LTB4R Q15722 1/20 0.32
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL11796667 0.82 OGG1 (0.43) KDM4EALDH1A1SLC6A4
SCHEMBL10182691 0.80 ALDH1A1 (0.40) GAALMNAALDH1A1SMN1; SMN2
SCHEMBL4191032 0.78 LTA4H (0.41) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL9440336 0.77 ALDH1A1 (0.50) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL11447473 0.77 KDM4E (0.39) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL4833131 0.77 KDM4E (0.39) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL4276749 0.77 KDM4E (0.39) KDM4EGAAMTNR1AMTNR1BLMNA
SCHEMBL11798120 0.76 L3MBTL1 (0.41) KDM4ELMNAALDH1A1
SCHEMBL16282570 0.75 ESR1 (0.33)
SCHEMBL12812510 0.75 ALDH1A1 (0.32) GAAALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4297103-A Process for the continuous one-bath dyeing of pile fabrics made of polyacrylonitrile/cotton BAYER AKTIENGESELLSCHAFT (DE) 1981-10-27 US claimed
US-4297103-A Process for the continuous one-bath dyeing of pile fabrics made of polyacrylonitrile/cotton BAYER AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed