SCHEMBL28442298

SCHEMBL28442298

CC(C)(CO)CCCc1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.51
SLC16A3 O15427 10/20 0.46
DHODH Q02127 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL28359199 0.90 FOLH1 (0.54) FOLH1SLC16A3TSHRALDH1A1ALOX15
SCHEMBL7677424 0.83 FOLH1 (0.53) FOLH1SLC16A3DHODHTSHRALDH1A1
SCHEMBL28434886 0.80 FOLH1 (0.49) FOLH1TSHRALDH1A1ALOX15
SCHEMBL31474045 0.79 FOLH1 (0.70) FOLH1SLC16A3DHODHTSHRALDH1A1
SCHEMBL729909 0.79 FOLH1 (0.70) FOLH1SLC16A3DHODHTSHRALDH1A1
SCHEMBL6445972 0.78 FOLH1 (0.59) FOLH1SLC16A3TSHRALDH1A1ALOX15
SCHEMBL27718504 0.78 FOLH1 (0.59) FOLH1SLC16A3TSHRALDH1A1ALOX15
SCHEMBL5806456 0.78 FOLH1 (0.63) FOLH1SLC16A3DHODHTSHRALDH1A1
Phthalic Acid SCHEMBL11274547 0.77 ALDH1A1 (0.61) ALDH1A1ALOX15
Phthalic Acid SCHEMBL6551340 0.77 ALDH1A1 (0.61) ALDH1A1ALOX15

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
CN-111448182-A Aztreonam derivative and application thereof 阿里萨制药有限公司 2020-07-24 CN disclosed