SCHEMBL7948704

SCHEMBL7948704

C=C(C)C(=O)OCCCCCCCCOC(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GLA P06280 1/20 0.48
BRCA1 P38398 1/20 0.48
LMNA P02545 3/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 2/20 0.45

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
SCHEMBL7948770 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL7951335 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL7948646 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL7949416 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL7941418 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL7953129 0.99 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL432741 0.93 KMT2A (0.58) ALDH1A1KMT2AMEN1GLABRCA1
SCHEMBL28046865 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL30526531 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL5935760 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TSHRPOLB

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
US-6265508-B1 Metal surface treatment agent having thiophenecarboxylic acid ester-containing and phosphoric acid ester-containing polymerizable monomer groups GC CORPORATION (JP) 2001-07-24 US disclosed