SCHEMBL28040541

SCHEMBL28040541

CC(C=O)(Cc1ccc(F)cc1)Cc1ccc(C=O)s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.30
ALOX5 P09917 1/20 0.30
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL28040036 0.80 PPARA (0.36) ALDH1A1ALOX5HPGD
SCHEMBL28040033 0.79 ALOX5 (0.35) ALDH1A1ALOX5HPGD
SCHEMBL1680352 0.77 ALOX5 (0.42) ALDH1A1ADRA1DADRA1AADRA1BLMNA
SCHEMBL9192828 0.73 ALDH1A1 (0.50) ALDH1A1ADRA1DADRA1AADRA1BHPGD
SCHEMBL15898183 0.70 ALDH1A1 (0.42) ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL7043843 0.69 LOXL2 (0.40) LMNATP53HPGD
SCHEMBL15898515 0.68 ALDH1A1 (0.45) ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL4661245 0.68 CYP3A4 (0.46) ALDH1A1LMNAHPGD
SCHEMBL7042751 0.67 HPGD (0.39) LMNATP53HPGD
SCHEMBL28040062 0.66 LMNA (0.33) ALDH1A1LMNAHPGD

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-105175392-A Carboxylic acid compounds containing thiophene structures and amide compounds containing thiophene structures and preparation method for carboxylic acid compounds and amide compounds UNIV HUNAN 2015-12-23 CN disclosed