SCHEMBL4622950

SCHEMBL4622950

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1CCC1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SLC6A4 P31645 3/20 0.36
MAPT P10636 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HPGD P15428 2/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
DHFR P00374 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL3996671 0.98 SLC6A4 (0.35) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL1454085 0.93 SLC6A2 (0.33) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL7781565 0.93 CYP1A2 (0.40) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL1451820 0.92 CA12 (0.33) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL7039658 0.91 ALDH1A1 (0.36) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL8678964 0.88 ALDH1A1 (0.34) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL1241803 0.87 ALDH1A1 (0.33) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL4286443 0.86 ALDH1A1 (0.33) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL7150481 0.85 ALDH1A1 (0.32) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3
SCHEMBL7037711 0.84 KDM4E (0.41) ALDH1A1SLC6A4MAPTSLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 US disclosed
EP-0889059-B1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 2003-02-12 EP disclosed
EP-1015463-B1 METHOD FOR PRODUCING METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2002-12-11 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed
US-20020052446-A1 Composition based on monofluorometal complexes BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed
US-5965678-A Catalyst system based on monoazadiene metal complexes BAYER AG (DE) 1999-10-12 US disclosed
EP-0889059-A1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 1999-01-07 EP disclosed