SCHEMBL7264666

SCHEMBL7264666

CCCCSc1ccc(OC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
AR P10275 1/20 0.41
ALDH1A3 P47895 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
SLC2A1 P11166 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 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
SCHEMBL5171995 0.91 ALDH1A3 (0.42) MAOAMAOBALDH1A3MAPTHPGD
SCHEMBL10345935 0.87 ALDH1A3 (0.45) MAOAMAOBALDH1A3MAPTHPGD
SCHEMBL5167450 0.84 ALDH1A1 (0.47) MAOAMAOBGAANPC1ALDH1A1
SCHEMBL7050105 0.81 SLC6A4 (0.48) MAOAALDH1A3POLBCYP1A2CYP2D6
SCHEMBL5887468 0.80 MAOA (0.62) MAOAMAOBARMAPTHPGD
SCHEMBL8425534 0.80 ALDH1A3 (0.40) MAOAMAOBALDH1A3MAPTHPGD
SCHEMBL2154579 0.80 HPGD (0.45) MAOAMAOBALDH1A3MAPTHPGD
SCHEMBL423408 0.79 ALDH1A1 (0.51) MAOAMAOBARMAPTCYP1A2
SCHEMBL17479449 0.78 MAOA (0.43) MAOAMAOBMAPTCYP2C19CYP3A4
SCHEMBL7922025 0.76 MAOA (0.47) MAOAMAOBARMAPTHPGD

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
US-6652930-B2 Comprises mixture of compounds such as 1,2-bis(2-hydroxyethyl thio)ethane and homo/copolymers of diallylamine compounds such as polydiallylamine hydrochloride; phthalocyanine dye adds to stability; discoloration inhibition extends shelf-life OJI PAPER CO., LTD. (JP) 2003-11-25 US disclosed
US-20020071941-A1 Sheet for ink jet-recording OJI PAPER CO., LTD. (JP) 2002-06-13 US disclosed