SCHEMBL11228089

SCHEMBL11228089

CCC(C)(O)CCc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.53
CLCN2 P51788 1/20 0.42
TSHR P16473 1/20 0.41
SLC16A3 O15427 4/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 1/20 0.39
HTT P42858 3/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
HMGB1 P09429 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL11217254 0.86 CLCN2 (0.42) FOLH1CLCN2SLC16A3ALDH1A1ALOX15
SCHEMBL11217258 0.85 CLCN2 (0.49) FOLH1CLCN2TSHRSLC16A3ALDH1A1
SCHEMBL27965407 0.85 FOLH1 (0.58) FOLH1CLCN2TSHRSLC16A3ALDH1A1
SCHEMBL6445972 0.83 FOLH1 (0.59) FOLH1CLCN2TSHRSLC16A3ALDH1A1
SCHEMBL11217257 0.82 TSHR (0.56) TSHRALDH1A1ALOX15CYP2C9
SCHEMBL28359199 0.79 FOLH1 (0.54) FOLH1CLCN2TSHRSLC16A3ALDH1A1
SCHEMBL241263 0.77 FOLH1 (0.66) FOLH1CLCN2TSHRSLC16A3ALDH1A1
SCHEMBL29424595 0.77 FOLH1 (0.66) FOLH1CLCN2TSHRSLC16A3ALDH1A1
SCHEMBL70392 0.76 FOLH1 (0.76) FOLH1TSHRSLC16A3ALDH1A1ALOX15
SCHEMBL30365583 0.76 FOLH1 (0.76) FOLH1TSHRSLC16A3ALDH1A1ALOX15

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