SCHEMBL6704622

SCHEMBL6704622

O=S(=O)(O)c1ccc(CCCCCP(CCCCCc2ccc(S(=O)(=O)O)cc2)CCCP(CCCCCc2ccc(S(=O)(=O)O)cc2)CCCCCc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.47
MGLL Q99685 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NT5E P21589 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
SCNN1A P37088 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
SCHEMBL6704699 0.98 CA2 (0.46) CA2MGLLLMNASMN1; SMN2TSHR
SCHEMBL8533059 0.96 CA2 (0.47) CA2MGLLLMNASMN1; SMN2TSHR
SCHEMBL7088221 0.91 CA2 (0.46) CA2MGLLLMNASMN1; SMN2TSHR
SCHEMBL30446884 0.85 CA2 (0.57) CA2MGLLLMNASMN1; SMN2TSHR
SCHEMBL7091361 0.83 LMNA (0.46) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL8723203 0.82 CA2 (0.50) CA2MGLLLMNASMN1; SMN2TSHR
SCHEMBL6688445 0.82 LMNA (0.45) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL28913301 0.80 CA2 (0.71) CA2MGLLLMNASMN1; SMN2TSHR
SCHEMBL28913292 0.80 CA2 (0.71) CA2MGLLLMNASMN1; SMN2TSHR
SCHEMBL4528217 0.79 CA2 (0.66) CA2MGLLLMNASMN1; SMN2ALDH1A1

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-20040030040-A1 Method of producing aqueous copolymer dispersions from copolymers that comprise carbon monoxide and at least one olefinically unsaturated compound BASF AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-6670443-B1 Feeding ethylene in pulses BASF AKTIENGESELLSCHAFT (DE) 2003-12-30 US disclosed