SCHEMBL9306866

SCHEMBL9306866

c1ccc(C(c2ccccc2)c2ccc(-c3ccc(C(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 3/20 0.55
SLC6A3 Q01959 3/20 0.55
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
ACP3 P15309 2/20 0.48
CFTR P13569 1/20 0.48
GOPC Q9HD26 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTGS2 P35354 1/20 0.44
DPP4 P27487 2/20 0.43
F2 P00734 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL23527429 0.97 CHRNB2 (0.58) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL2838545 0.94 ALDH1A1 (0.56) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
Biphenyl SCHEMBL7785984 0.90 ALDH1A1 (0.60) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL2956444 0.90 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL172870 0.87 CHRNB2 (0.45) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL22238270 0.87 MMP3 (0.64) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL3045847 0.87 MMP3 (0.64) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL22388390 0.87 CYP1A2 (0.64) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL144 0.87 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL27907795 0.87 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CFTRGOPC

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
US-5324604-A Multi-active electrophotographic element and imaging process using free radicals as charge transport material EASTMAN KODAK COMPANY (US) 1994-06-28 US claimed
EP-3475995-B1 QUANTUM DOT LIGHT EMITTING DEVICES DOW GLOBAL TECHNOLOGIES LLC (US) 2022-12-21 EP disclosed
US-5324604-A Multi-active electrophotographic element and imaging process using free radicals as charge transport material EASTMAN KODAK COMPANY (US) 1994-06-28 US disclosed