SCHEMBL4458095

SCHEMBL4458095

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TAAR1 Q96RJ0 2/20 0.31
HTR1A P08908 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2A P28223 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
SCHEMBL4461971 0.93 KMT2A (0.39) GABRA1GABRB2ALDH1A1TSHRHSD17B10
SCHEMBL4458091 0.85 MEN1 (0.33) GABRA1GABRB2TSHRHSD17B10MEN1
SCHEMBL4448725 0.85 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL4458041 0.82 ALOX5 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL4451735 0.81 ALDH1A1 (0.50) GABRA1GABRB2ALDH1A1TSHRHSD17B10
SCHEMBL4448728 0.80 GABRA1 (0.39) GABRA1GABRB2ALDH1A1TSHRMEN1
SCHEMBL4458064 0.79 NPSR1 (0.37) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL11039468 0.78 GABRA1 (0.38) GABRA1GABRB2ALDH1A1TSHRMEN1
SCHEMBL4461969 0.78 KMT2A (0.38) GABRA1GABRB2ALDH1A1TSHRHSD17B10
SCHEMBL4454288 0.77 MEN1 (0.39) ALDH1A1MEN1KMT2ALMNANPSR1

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