SCHEMBL4453687

SCHEMBL4453687

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
HTR1B P28222 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CETP P11597 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
INPPL1 O15357 1/20 0.37
INPP5B P32019 1/20 0.37
INPP5A Q14642 1/20 0.37
ALPL P05186 1/20 0.36

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
SCHEMBL3891403 0.91 MAPT (0.53) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL4136914 0.87 MAPT (0.59) MAPTCCNT1CDK9HTR1BALDH1A1
SCHEMBL22947676 0.87 CCNT1 (0.48) MAPTCCNT1CDK9RAB9ALMNA
SCHEMBL4453684 0.83 MAPT (0.59) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL4448591 0.83 MAPT (0.51) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL4451707 0.81 MAPT (0.49) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL4455021 0.79 MAPT (0.54) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL759513 0.79 MAPT (0.67) MAPTHTR1BALDH1A1POLBLMNA
SCHEMBL497309 0.79 MAPT (0.67) MAPTHTR1BALDH1A1POLBRAB9A
SCHEMBL29429257 0.79 MAPT (0.67) MAPTHTR1BALDH1A1POLBLMNA

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