SCHEMBL16626228

SCHEMBL16626228

COc1cccc(OC)c1P(C1CCCCC1)C1CCCCC1.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1102294 0.93 ABCB1 (0.43) ABCB1SMN1; SMN2LMNANPSR1SIGMAR1
SCHEMBL16694832 0.92 ABCB1 (0.41) ABCB1SMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL11954834 0.85 ABCB1 (0.40) ABCB1SMN1; SMN2LMNANPSR1SIGMAR1
SCHEMBL17240346 0.85 ABCB1 (0.37) ABCB1SMN1; SMN2LMNANPSR1SIGMAR1
SCHEMBL17244833 0.83 ABCB1 (0.38) ABCB1SMN1; SMN2LMNASIGMAR1ALDH1A1
SCHEMBL11894867 0.83 KMT2A (0.35) LMNAL3MBTL1ALDH1A1HPGD
SCHEMBL28824636 0.83 SMN1; SMN2 (0.38) ABCB1SMN1; SMN2LMNANPSR1L3MBTL1
SCHEMBL2709792 0.81 HPGD (0.42) ABCB1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL17529732 0.80 ABCB1 (0.46) ABCB1SMN1; SMN2LMNANPSR1SIGMAR1
SCHEMBL21331777 0.79 SMN1; SMN2 (0.43) ABCB1SMN1; SMN2LMNAHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105163854-A Method for producing catalyst for synthesizing cyclic carbonate NAT INST OF ADVANCED IND SCIEN 2015-12-16 CN disclosed
CN-105163853-A Method for manufacturing catalyst for synthesizing cyclic carbonate MARUZEN PETROCHEM CO LTD 2015-12-16 CN disclosed
CN-105121013-A Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEM CO LTD 2015-12-02 CN disclosed
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed