SCHEMBL3675441

SCHEMBL3675441

CCCC(N)c1ccccc1S

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
CFD P00746 1/20 0.33
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CSNK1E P49674 1/20 0.31
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3680376 0.87 AOC3 (0.38) AOC3CFDFFAR1GPR84TSHR
SCHEMBL3672924 0.83 TSHR (0.39) TSHRSLC6A2TAAR1MAOASLC6A4
SCHEMBL9439770 0.79 ALDH1A1 (0.41) AOC3CFDFFAR1GPR84TSHR
SCHEMBL5185556 0.79 AOC3 (0.34) AOC3CFDFFAR1GPR84TSHR
SCHEMBL15295134 0.79 ESR1 (0.43) AOC3TSHRSLC6A2TAAR1MAOA
SCHEMBL15295186 0.79 ESR1 (0.43) AOC3TSHRSLC6A2TAAR1MAOA
SCHEMBL3668717 0.79 CYP2D6 (0.33) AOC3FFAR1GPR84TSHRSLC6A2
SCHEMBL12944872 0.79 MC4R (0.40) TSHRSLC6A4SMN1; SMN2
SCHEMBL14864537 0.78 TSHR (0.43) AOC3FFAR1GPR84TSHRTAAR1
SCHEMBL14527948 0.78 TAS1R3 (0.39) CA1CA2CSNK1ESLC6A2SLC6A4

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-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed