SCHEMBL11639817

SCHEMBL11639817

C=CCOC(=O)c1c(O)c2cc(OC)c(OC)cc2n(CC#CC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 3/20 0.34
▸ PTP4A3 O75365 1/20 0.34
▸ PTP4A2 Q12974 1/20 0.34
▸ PTP4A1 Q93096 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL11380622 0.88 ALDH1A1 (0.50) RXFP1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL11641263 0.86 RXFP1 (0.58) RXFP1MEN1KMT2ALMNAALDH1A1
SCHEMBL11642713 0.85 ALDH1A1 (0.53) RXFP1MEN1KMT2ALMNAALDH1A1
SCHEMBL11372185 0.83 RXFP1 (0.42) RXFP1MEN1KMT2ALMNAALDH1A1
SCHEMBL11648831 0.83 RXFP1 (0.46) RXFP1MEN1KMT2ALMNAALDH1A1
SCHEMBL11638740 0.82 ALDH1A1 (0.46) RXFP1MEN1KMT2ALMNAALDH1A1
SCHEMBL11642218 0.80 LMNA (0.55) RXFP1MEN1KMT2ALMNAALDH1A1
SCHEMBL11643317 0.79 LMNA (0.54) RXFP1MEN1KMT2ALMNAALDH1A1
SCHEMBL11393959 0.78 LMNA (0.67) RXFP1MEN1KMT2ALMNAALDH1A1
SCHEMBL11642117 0.77 RXFP1 (0.54) RXFP1MEN1KMT2ALMNAALDH1A1

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-4119720-A ANTIALLERGENS SANDOZ, INC. (US) 1978-10-10 — — US disclosed
Send feedback