SCHEMBL4396369

SCHEMBL4396369

CCCCOc1ccc2cccc([S+]3CCC(OCCCC)C3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.40
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
HTR1A P08908 1/20 0.37
MTNR1B P49286 8/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
Trifluoromethanesulfonic Acid SCHEMBL3364319 0.77 KCNH2 (0.35)
SCHEMBL6398679 0.77 KDM4E (0.34)
SCHEMBL1533147 0.73 GAA (0.30)
SCHEMBL4172511 0.71 GPBAR1 (0.40) MTNR1AGPBAR1CYSLTR2CYSLTR1
SCHEMBL3363813 0.70 KDM4E (0.32)
SCHEMBL30019751 0.70 HTR1B (0.38) HTR1DHTR1B
SCHEMBL6399777 0.69 KDM4E (0.34)
SCHEMBL347957 0.68 CA12 (0.54) MTNR1AHTR1DHTR1BHTR1AGPBAR1
SCHEMBL10604096 0.68 KCNA3 (0.54) MTNR1AHTR1DHTR1BHTR1AGPBAR1
SCHEMBL19583365 0.68 TDP1 (0.53) MTNR1AHTR1DHTR1BHTR1AGPBAR1

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
EP-2130095-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION AND CURED FILM FORMING METHOD USING THE SAME Fujifilm Corporation (JP) 2009-12-09 EP disclosed
WO-2008123563-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION AND CURED FILM FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-16 WO disclosed