SCHEMBL4458091

SCHEMBL4458091

CCc1cccc(P(=O)(OC2CC2)OC2CC2)c1CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4461969 0.93 KMT2A (0.38) MEN1KMT2AGABRA1GABRB2TSHR
SCHEMBL4450443 0.85 CTSB (0.36) MEN1KMT2AGABRA1GABRB2TSHR
SCHEMBL4458095 0.85 GABRA1 (0.34) MEN1KMT2AGABRA1GABRB2TAAR1
SCHEMBL4448724 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL4458037 0.81 PTGS2 (0.32) MEN1KMT2A
SCHEMBL4451733 0.80 MEN1 (0.50) MEN1KMT2AGABRA1GABRB2HSD17B10
SCHEMBL4461971 0.79 KMT2A (0.39) MEN1KMT2AGABRA1GABRB2TSHR
SCHEMBL4448727 0.78 GABRA1 (0.38) MEN1KMT2AGABRA1GABRB2TAAR1
SCHEMBL4458146 0.78 ADRA2A (0.35) MEN1KMT2ATSHRHSD17B10
SCHEMBL4456122 0.78 TSHR (0.39) MEN1KMT2ATSHRHSD17B10

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