SCHEMBL11217258

SCHEMBL11217258

CCC(C)(O)CC.CCc1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 2/20 0.49
FOLH1 Q04609 3/20 0.49
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 1/20 0.41
HIF1A Q16665 2/20 0.41
CYP2C9 P11712 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HTT P42858 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 1/20 0.41
SLC16A3 O15427 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL28115 0.87 FOLH1 (0.61) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL11228089 0.85 FOLH1 (0.53) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6912613 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
Ammonia Solution, Strong SCHEMBL22042013 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6914562 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6914507 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6915613 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6914874 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
Bromide SCHEMBL3173857 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR
SCHEMBL6912943 0.85 FOLH1 (0.59) CLCN2FOLH1ALDH1A1ALOX15TSHR

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