SCHEMBL4453684

SCHEMBL4453684

CCCP(=O)(Oc1cccc(C)c1C)Oc1cccc(C)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
HTR1B P28222 1/20 0.44
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALPL P05186 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4461951 0.90 MAPT (0.56) MAPTHTR1BPOLBLMNAGAA
SCHEMBL4455042 0.86 MAPT (0.62) MAPTHTR1BPOLBLMNAGAA
SCHEMBL4453687 0.83 MAPT (0.56) MAPTHTR1BPOLBLMNAGAA
SCHEMBL28813710 0.80 MAPT (0.56) MAPTHTR1BLMNAGAAMAPK1
SCHEMBL3891403 0.78 MAPT (0.53) MAPTHTR1BPOLBLMNAALDH1A1
SCHEMBL108985 0.77 MAPT (0.71) MAPTHTR1BPOLBLMNAGAA
SCHEMBL778988 0.76 KDM4E (0.41) MAPTKDM4E
SCHEMBL4136914 0.76 MAPT (0.59) MAPTHTR1BPOLBLMNAGAA
SCHEMBL4451361 0.76 MAPT (0.69) MAPTHTR1BPOLBLMNAGAA
SCHEMBL4462591 0.75 GABRA1 (0.34) MAPTHTTL3MBTL1KDM4E

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed