SCHEMBL31425591

SCHEMBL31425591

CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])c1cc(S(=O)(=O)[O-])c2cc(C(=O)[O-])ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 3/20 0.34
LTB4R Q15722 6/20 0.33
CA2 P00918 2/20 0.33
BDKRB2 P30411 1/20 0.33
MMP1 P03956 1/20 0.33
MMP7 P09237 1/20 0.33
ACE P12821 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
CNR1 P21554 1/20 0.33
NR1I2 O75469 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL30014622 0.88 SMN1; SMN2 (0.39) CA2KMT2ASMN1; SMN2
SCHEMBL1725777 0.88 SMN1; SMN2 (0.39) CA2KMT2ASMN1; SMN2
SCHEMBL2964069 0.83 HIPK2 (0.47) HIPK2CA2CA1
SCHEMBL7197494 0.75 NR1I2 (0.41) CA2BDKRB2MMP1MMP7ACE
Terephthalic Acid SCHEMBL6632223 0.74 BDKRB2 (0.49) CA2BDKRB2CA1
SCHEMBL31425580 0.74 NR1I2 (0.41) LTB4RCA2MMP1MMP7ACE
SCHEMBL3272927 0.73 HIPK2 (0.48) HIPK2CA2CA1
SCHEMBL17393220 0.73 HIPK2 (0.44) HIPK2
Zinc Ion SCHEMBL15387821 0.73 HIPK2 (0.44) HIPK2CA2CA1
SCHEMBL9134120 0.72 CA2 (0.44) CA2BDKRB2MMP13CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025018376-A1 CHENILLE YARN, FABRIC, AND CLOTHING PRODUCT 帝人フロンティア株式会社 2025-01-23 WO disclosed