SCHEMBL9740955

SCHEMBL9740955

C[C@@H](OC(=O)NOC(=O)c1ccccc1O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 6/20 0.48
HSD17B10 Q99714 5/20 0.48
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
OPRM1 P35372 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
LPAR1 Q92633 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LPAR3 Q9UBY5 1/20 0.40
TP53 P04637 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
SCHEMBL9741280 1.00 LMNA (0.49) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL112399 0.84 LMNA (0.55) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL10408835 0.82 LMNA (0.53) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL8343471 0.77 LMNA (0.50) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL21447183 0.76 HCAR2 (0.51) TSHRALDH1A1HSD17B10HCAR2OPRM1
Salicylic Acid SCHEMBL9741275 0.75 ALDH1A1 (0.55) LMNATSHRALDH1A1KDM4EHPGD
Salicylic Acid SCHEMBL9740960 0.75 ALDH1A1 (0.55) LMNATSHRALDH1A1KDM4EHPGD
Salicylic Acid SCHEMBL9740951 0.75 ALDH1A1 (0.55) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL27908807 0.74 TSHR (0.63) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL10592352 0.74 HCAR2 (0.53) ALDH1A1KDM4EHSD17B10HCAR2OPRM1

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-5081117-A Treatment of memory dysfunctions such as in Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-14 US claimed