SCHEMBL11224841

SCHEMBL11224841

CCCCCCC(C)O.CCc1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
FOLH1 Q04609 2/20 0.47
TSHR P16473 3/20 0.45
LMNA P02545 1/20 0.45
PTPN11 Q06124 2/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CLCN2 P51788 1/20 0.42
PLK1 P53350 1/20 0.42

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
Phthalic Acid SCHEMBL29248354 0.91 ALDH1A1 (0.67) ALDH1A1TSHRLMNAPTPN11PRSS1
Phthalic Acid SCHEMBL3775119 0.91 ALDH1A1 (0.67) ALDH1A1TSHRLMNAPTPN11PRSS1
SCHEMBL9770541 0.85 SLC16A3 (0.52) ALDH1A1FOLH1TSHRCYSLTR2CYSLTR1
Phthalic Acid SCHEMBL9676672 0.83 ALDH1A1 (0.54) ALDH1A1FOLH1TSHRKDM4EMEN1
SCHEMBL27994257 0.82 ALDH1A1 (0.69) ALDH1A1TSHRLMNAPTPN11PRSS1
SCHEMBL3526217 0.82 FOLH1 (0.53) ALDH1A1FOLH1TSHRLMNAPTPN11
SCHEMBL15512121 0.82 ALDH1A1 (0.57) ALDH1A1FOLH1TSHRLMNAPTPN11
SCHEMBL3526213 0.82 ALDH1A1 (0.53) ALDH1A1TSHRLMNAPTPN11PRSS1
SCHEMBL8012445 0.81 ALDH1A1 (0.52) ALDH1A1FOLH1CYSLTR2CYSLTR1
Propylene Glycol SCHEMBL27958334 0.81 KAT8 (0.50) ALDH1A1FOLH1CYSLTR2CYSLTR1PLK1

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-4313843-A CHEMILUMINESCENT HAVING GOOD STORAGE STABILITY AMERICAN CYANAMID COMPANY (US) 1982-02-02 US disclosed