SCHEMBL6704699

SCHEMBL6704699

O=S(=O)(O)c1ccc(CCCCP(CCCCc2ccc(S(=O)(=O)O)cc2)CCCP(CCCCc2ccc(S(=O)(=O)O)cc2)CCCCc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.46
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
NT5E P21589 1/20 0.39
CA1 P00915 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
MGLL Q99685 2/20 0.38
SCNN1A P37088 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 2/20 0.34
F2 P00734 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
SCHEMBL6704622 0.98 CA2 (0.47) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL8533059 0.98 CA2 (0.47) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL7088221 0.93 CA2 (0.46) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL30446884 0.87 CA2 (0.57) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL7091361 0.85 LMNA (0.46) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL6688445 0.83 LMNA (0.45) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL8723203 0.80 CA2 (0.50) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL1806457 0.79 CA2 (0.50) CA2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL21111342 0.79 SMN1; SMN2 (0.58) CA2SMN1; SMN2TSHRALDH1A1CYP2D6
SCHEMBL1806460 0.79 CA2 (0.70) CA2LMNASMN1; SMN2TSHRALDH1A1

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