SCHEMBL5837044

SCHEMBL5837044

CC(C)C1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Si](C)(C)C1C(C(C)C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAF1 P04049 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSA P10619 2/20 0.31
MAOB P27338 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5836727 0.89 JAK2 (0.34) AKR1C3AKR1C2CYP1A2POLBCYP2C19
SCHEMBL16394662 0.84
SCHEMBL5837617 0.84 HTR1A (0.38) HTR1AHTR7AKR1C3AKR1C2MEN1
SCHEMBL5836794 0.82
SCHEMBL5837020 0.80 ADRA2A (0.32) HTR1AHTR7MEN1KMT2APOLB
SCHEMBL5552751 0.80 NPC1 (0.34) SMN1; SMN2
SCHEMBL16394493 0.80
SCHEMBL5836990 0.78 ADRA2A (0.32) MAPTALDH1A1
SCHEMBL7034367 0.78 BRD4 (0.33) MEN1KMT2AMAPTMAOB
SCHEMBL5837744 0.78 GSTP1 (0.36) AKR1C3AKR1C2CYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 US disclosed
EP-1015463-B1 METHOD FOR PRODUCING METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2002-12-11 EP disclosed