SCHEMBL6935320

SCHEMBL6935320

C=C(CC(C)(C)c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
OGG1 O15527 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GSK3B P49841 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
SHBG P04278 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 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
SCHEMBL3419256 0.82 SHBG (0.53) SHBGESR1ESR2LMNA
SCHEMBL1408639 0.82 NPC1 (0.46) CES2CES1GSK3BHDAC1SHBG
SCHEMBL3144723 0.81 NPC1 (0.44) MAOAESR1ESR2LMNARAB9A
SCHEMBL27955984 0.78 HDAC3 (0.42) HDAC3ESR1ESR2
SCHEMBL1408654 0.78 CYP2C9 (0.41) POLBLMNARAB9A
SCHEMBL10597720 0.77 HDAC1 (0.34) HDAC1SHBGPOLBCA2LMNA
SCHEMBL14921 0.76 TAAR1 (0.48) MAOAMAOBESR1ESR2
SCHEMBL16056956 0.74 CYP2C19 (0.47) OGG1CES2CES1GSK3BESR1
SCHEMBL15066878 0.73 SMN1; SMN2 (0.43) OGG1CES2CES1GSK3BCA1
SCHEMBL5884975 0.73 ELANE (0.47) POLBESR1LMNARECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562513-B1 Thermopolymerizable composition for battery use SHOWA DENKI KABUSHIKI KAISHA (JP) 2003-05-13 US disclosed