SCHEMBL6235672

SCHEMBL6235672

C1=CCC(c2cccc(C3=CC=CC3)n2)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR1 P32246 2/20 0.36
CCR8 P51685 2/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALPL P05186 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL11159334 0.84 KDM4E (0.58) CCR1CCR8RAB9AKDM4ETDP1
SCHEMBL2460160 0.77 KDM4E (0.50) CCR1CCR8RAB9AKDM4ETDP1
SCHEMBL6930994 0.77 RAB9A (0.46) MEN1KMT2ARAB9AKDM4ETDP1
Hydrochloric Acid SCHEMBL5673462 0.72 MCHR1 (0.36) MEN1KMT2A
Benzene SCHEMBL27953403 0.72
SCHEMBL27884552 0.71
SCHEMBL315517 0.71
SCHEMBL3187920 0.71
SCHEMBL9673747 0.70 ALDH1A1 (0.44) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL18903950 0.69 KMT2A (0.39) MEN1KMT2ARAB9AKDM4ETDP1

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-1196452-B8 METHOD FOR COPOLYMERIZING POLAR AND NON-POLAR MONOMERS LANXESS DEUTSCHLAND GMBH (DE) 2005-08-03 EP disclosed
EP-1196452-B1 METHOD FOR COPOLYMERIZING POLAR AND NON-POLAR MONOMERS BAYER AG (DE) 2005-06-08 EP disclosed
EP-1196452-A1 METHOD FOR COPOLYMERIZING POLAR AND NON-POLAR MONOMERS Bayer Aktiengesellschaft (DE) 2002-04-17 EP disclosed
WO-2001000686-A1 METHOD FOR COPOLYMERIZING POLAR AND NON-POLAR MONOMERS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed