SCHEMBL4265685

SCHEMBL4265685

c1ccc(COCC2COc3cscc3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38

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
SCHEMBL5040637 0.84 POLB (0.44) LMNAPOLBL3MBTL1HPGDDRD2
SCHEMBL11961232 0.81 ALDH1A1 (0.52) POLBL3MBTL1HTR1ASIGMAR1DRD3
SCHEMBL17281014 0.80 TDP1 (0.54) HTR1AHPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL883429 0.80 LMNA (0.58) LMNATAAR1L3MBTL1TSHRHRH4
SCHEMBL7303014 0.80 LMNA (0.58) LMNATAAR1L3MBTL1TSHRHRH4
SCHEMBL8308521 0.80 LMNA (0.58) LMNATAAR1L3MBTL1TSHRHRH4
SCHEMBL5895577 0.79 TSHR (0.37) L3MBTL1SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL4260153 0.78 ALDH1A1 (0.38) POLBL3MBTL1HPGDALDH1A1MAPT
SCHEMBL12361954 0.78 ALDH1A1 (0.36) LMNAL3MBTL1HTR1ADRD3SMN1; SMN2
SCHEMBL5917903 0.77 FFAR1 (0.47) LMNATAAR1POLBHTR1ASIGMAR1

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-1327645-B1 Process for the production of neutral poly(ethylenedioxythiophene) and related poly(ethylenedioxythiophenes) STARCK H C GMBH (DE) 2009-10-21 EP disclosed
US-6756473-B2 REACTING WITH OXIDIZER; APPLYING TO SUBSTRATE BAYER AKTIENGESELLSCHAFT (DE) 2004-06-29 US disclosed
US-20030139505-A1 Process for the preparation of neutral polyethylenedioxythiophene, and corresponding polyethylenedioxythiophenes HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2003-07-24 US disclosed
EP-1327645-A1 Process for the production of neutral poly(ethylenedioxythiophene) and related poly(ethylenedioxythiophenes) Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed