SCHEMBL4450443

SCHEMBL4450443

CCc1ccccc1P(=O)(OC1CC1)OC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
HCRTR2 O43614 1/20 0.32
CYP27A1 Q02318 1/20 0.32
CYP24A1 Q07973 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 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
SCHEMBL4456122 0.92 TSHR (0.39) CTSBMEN1KMT2AHSD17B10TSHR
SCHEMBL4458146 0.89 ADRA2A (0.35) MEN1KMT2AHSD17B10TSHRNPSR1
SCHEMBL4456055 0.86 LIPG (0.34) TSHR
SCHEMBL4458091 0.85 MEN1 (0.33) MEN1KMT2AHSD17B10TSHRGABRA1
SCHEMBL4448582 0.82 KMT2A (0.36) MEN1KMT2AHSD17B10TSHRNPSR1
SCHEMBL4454572 0.79 CNR1 (0.39) MEN1KMT2AHSD17B10TSHRNPSR1
SCHEMBL4454953 0.79 MEN1 (0.33) MEN1KMT2ATSHRNPSR1MAPT
SCHEMBL4448724 0.79 MEN1 (0.31) MEN1KMT2A
SCHEMBL4461969 0.79 KMT2A (0.38) MEN1KMT2AHSD17B10TSHRNPSR1
SCHEMBL4455340 0.78 MEN1 (0.54) MEN1KMT2AHSD17B10NPSR1L3MBTL1

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