SCHEMBL3957264

SCHEMBL3957264

CCCCCCCCCCCCc1ccc2nn[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.49
S1PR4 O95977 3/20 0.49
S1PR5 Q9H228 3/20 0.49
TLR8 Q9NR97 3/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL10703874 1.00 S1PR1 (0.49) S1PR1S1PR4S1PR5TLR8ESR1
SCHEMBL18986083 0.98 S1PR1 (0.47) S1PR1S1PR4S1PR5TLR8ESR1
SCHEMBL3958686 0.94 TUBB4A (0.45) S1PR1S1PR4S1PR5LMNATP53
SCHEMBL243359 0.88 HTR1A (0.45) S1PR1S1PR4S1PR5TLR8ESR1
SCHEMBL7846372 0.88 HTR1A (0.45) S1PR1S1PR4S1PR5TLR8ESR1
SCHEMBL10999399 0.88 HTR1A (0.45) S1PR1S1PR4S1PR5TLR8ESR1
SCHEMBL1018863 0.88 HTR1A (0.45) S1PR1S1PR4S1PR5TLR8ESR1
SCHEMBL1019393 0.88 HTR1A (0.45) S1PR1S1PR4S1PR5TLR8ESR1
SCHEMBL11673325 0.88 HTR1A (0.45) S1PR1S1PR4S1PR5TLR8ESR1
SCHEMBL14208120 0.87 CNR1 (0.39) S1PR1S1PR4S1PR5LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907844-B1 RESIN COMPOSITION FOR PRINTING FILM AND PRINTING FILM ADEKA CORP (JP) 2017-09-20 EP disclosed
US-20150232626-A1 RESIN COMPOSITION FOR PRINTING FILM AND PRINTING FILM ADEKA CORPORATION (JP) 2015-08-20 US disclosed
EP-2907844-A1 RESIN COMPOSITION FOR PRINTING FILM AND PRINTING FILM Adeka Corporation (JP) 2015-08-19 EP disclosed
CN-104704044-A Resin composition for printed film and printed film ADEKA CORP 2015-06-10 CN disclosed
US-7534823-B2 Vinyl chloride resin composition ADEKA CORPORATION (JP) 2009-05-19 US disclosed
US-20080045635-A1 Vinyl Chloride Resin Composition ADEKA CORPORATION (JP) 2008-02-21 US disclosed