SCHEMBL11547389

SCHEMBL11547389

CCC(=O)Oc1ccc(-c2c(C(=O)c3ccc(O)cc3)c3ccccc3[s+]2[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.50
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ESR1 P03372 2/20 0.41
HIF1A Q16665 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 4/20 0.38
CYP2C9 P11712 3/20 0.38
NPC1 O15118 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
EYA3 Q99504 3/20 0.37
SLC22A12 Q96S37 1/20 0.37
LMNA P02545 2/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL11548819 0.89 ELANE (0.46) ELANEKMT2AMAPTMEN1RAB9A
SCHEMBL11552101 0.87 LMNA (0.41) KMT2ASMN1; SMN2ESR1RECQLMAPT
SCHEMBL11547801 0.85 CNR2 (0.47) KMT2ASMN1; SMN2MAPTMEN1TP53
SCHEMBL11551463 0.85 CNR2 (0.47) KMT2ASMN1; SMN2MAPTMEN1TP53
SCHEMBL11547391 0.85 ABCG2 (0.43) KMT2AESR1MEN1CYP2C9
SCHEMBL11552089 0.85 LMNA (0.47) KMT2AESR1MAPTMEN1HTT
SCHEMBL11547513 0.84 ELANE (0.40) ELANEKMT2ASMN1; SMN2ESR1HIF1A
SCHEMBL11551236 0.83 ELANE (0.39) ELANEKMT2AESR1MAPTMEN1
SCHEMBL11549453 0.83 ELANE (0.39) ELANEKMT2AESR1MAPTMEN1
SCHEMBL11547002 0.82 ESR1 (0.47) KMT2AESR1HIF1AMAPTMEN1

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-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed