SCHEMBL9618804

SCHEMBL9618804

Oc1ccc(C2(Cc3ccccc3)CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
ESR2 Q92731 3/20 0.48
ESR1 P03372 2/20 0.48
SLC6A4 P31645 4/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
DPP4 P27487 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 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
SCHEMBL7906825 0.91 ESR1 (0.53) ADRB2ALDH1A1HTTESR2ESR1
SCHEMBL49169 0.87 DPP4 (0.59) SLC6A4SLC6A2SLC6A3DPP4MEN1
SCHEMBL5267941 0.85 DPP4 (0.61) SLC6A4SLC6A2SLC6A3DPP4MEN1
SCHEMBL29386486 0.83 SLC6A3 (0.59) SLC6A4SLC6A2SLC6A3DPP4HSD11B1
SCHEMBL10606332 0.81 DPP4 (0.55) SLC6A4SLC6A2SLC6A3DPP4MEN1
SCHEMBL8735345 0.77 ESR1 (0.59) ESR2ESR1SLC6A4SLC6A2SLC6A3
SCHEMBL3284293 0.77 NR3C1 (0.49) ADRB2ALDH1A1HTTESR2ESR1
SCHEMBL22500202 0.77 ESR2 (0.44) ADRB2ALDH1A1HTTESR2ESR1
SCHEMBL8706024 0.76 ESR2 (0.57) ESR2ESR1SLC6A4SLC6A2SLC6A3
SCHEMBL12980868 0.75 TSHR (0.52) ESR2SLC6A4SLC6A2SLC6A3DPP4

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-0210318-B1 PROCESS FOR SCOURING AND DYEING SYNTHETIC FIBERS IN ONE-BATH MEISEI CHEMICAL WORKS, LTD. (JP) 1992-01-08 EP disclosed
US-4723960-A HALOALKYL ALCOHOLS AND MONO, DI, OR POLYCARBOXYLIC ACID ESTERS WHICH HYDROLYZE TO ADJUST PH MEISEI CHEMICAL WORKS, LTD. (JP) 1988-02-09 US disclosed
EP-0210318-A2 Process for scouring and dyeing synthetic fibers in one-bath MEISEI CHEMICAL WORKS, LTD. (JP) 1987-02-04 EP disclosed