SCHEMBL10879686

SCHEMBL10879686

C=C(C)CN[C@@H](C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
MME P08473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
NR4A2 P43354 1/20 0.30
MAPT P10636 2/20 0.30
PTGS2 P35354 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL2561637 1.00 TGFBR1 (0.35) TGFBR1MMEALDH1A1ACECPA1
SCHEMBL10594533 0.83 TGFBR1 (0.37) TGFBR1MMEALDH1A1ACECPA1
SCHEMBL10594525 0.83 TGFBR1 (0.37) TGFBR1MMEALDH1A1ACECPA1
SCHEMBL3442583 0.81 ALDH1A1 (0.36) MMEALDH1A1ACECPA1ACE2
SCHEMBL596423 0.81 ALDH1A1 (0.36) MMEALDH1A1ACECPA1ACE2
SCHEMBL9247366 0.81 TGFBR1 (0.36) TGFBR1MMEALDH1A1ACECPA1
SCHEMBL9247359 0.81 TGFBR1 (0.36) TGFBR1MMEALDH1A1ACECPA1
SCHEMBL8377934 0.80 TDP1 (0.35) TDP1
SCHEMBL758495 0.78 SMN1; SMN2 (0.36) TGFBR1MMEALDH1A1SLC7A5MAPT
SCHEMBL758494 0.78 SMN1; SMN2 (0.36) TGFBR1MMEALDH1A1SLC7A5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083312-B1 AQUEOUS BASED FIRE FOAM COMPOSITIONS CONTAINING HYDROCARBYL SULFIDE TERMINATED OLIGOMER STABILIZERS CIBA-GEIGY AG (CH) 1986-03-05 EP disclosed
US-4439329-A Aqueous based fire fighting foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers CIBA-GEIGY CORPORATION (US) 1984-03-27 US disclosed
EP-0083312-A1 Aqueous based fire foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers CIBA-GEIGY AG (CH) 1983-07-06 EP disclosed