SCHEMBL7260296

SCHEMBL7260296

CCCCSc1ccc(CC)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.62
MAOB P27338 2/20 0.62
SLC2A1 P11166 1/20 0.44
AR P10275 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
XDH P47989 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
HPGD P15428 1/20 0.39
SLC6A4 P31645 4/20 0.37
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 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
SCHEMBL13401892 0.92 MAOA (0.54) MAOAMAOBSLC2A1LMNATHRA
SCHEMBL5170523 0.91 MAOA (0.52) MAOAMAOBSLC2A1THRATHRB
SCHEMBL5887468 0.89 MAOA (0.62) MAOAMAOBSLC2A1ARMAPT
SCHEMBL30753705 0.86 MAOA (0.48) MAOAMAOBSLC2A1CA12CA1
SCHEMBL21241687 0.85 MAOA (0.61) MAOAMAOBSLC2A1ARMAPT
SCHEMBL10528412 0.84 MAOA (0.47) MAOAMAOBSLC2A1MAPTLMNA
SCHEMBL10525833 0.82 MAOA (0.46) MAOAMAOBSLC2A1MAPTXDH
SCHEMBL10527847 0.82 MAOA (0.46) MAOAMAOBSLC2A1MAPTXDH
SCHEMBL10527721 0.82 MAOA (0.46) MAOAMAOBSLC2A1MAPTXDH
SCHEMBL10528256 0.82 MAOA (0.46) MAOAMAOBSLC2A1MAPTXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3522243-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR PRODUCING SAME, AND ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM Corporation (JP) 2019-08-07 EP disclosed
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