SCHEMBL7603333

SCHEMBL7603333

CC1=C2c3c(ccc4ccccc34)C1[Ti](C)(C)C1C(C)=C(c3c1ccc1ccccc31)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 3/20 0.36
CYP2A6 P11509 3/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL797793 0.80 MEN1 (0.33) MEN1KMT2AMAPTLMNATDP1
SCHEMBL7603358 0.77 MEN1 (0.38) MEN1KMT2AMAPTLMNATDP1
SCHEMBL7599726 0.73 DHFR (0.32) MEN1KMT2AMAPTLMNATDP1
SCHEMBL7602713 0.68 HTR1A (0.37) MEN1KMT2AMAPTLMNATDP1
SCHEMBL7602061 0.66 HTR7 (0.39) MAPTKDM4EHTTPOLBCYP1A2
SCHEMBL2539931 0.62 CYP2A6 (0.48) MEN1KMT2AMAPTLMNATDP1
SCHEMBL12537735 0.60 ALDH1A1 (0.43) MEN1KMT2AMAPTLMNATDP1
SCHEMBL29352216 0.59 TSHR (0.65) MAPTTDP1ALDH1A1MAPK1CYP2A6
SCHEMBL2951616 0.59 TSHR (0.65) MAPTTDP1ALDH1A1MAPK1CYP2A6
SCHEMBL5702815 0.58 ALDH1A1 (0.42) MEN1KMT2AMAPTLMNATDP1

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed