SCHEMBL7317836

SCHEMBL7317836

CCCCC#Cc1c(N)c(C)c(Cc2ccccc2)c(C(=O)OC)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 2/20 0.37
MMP2 P08253 8/20 0.36
MMP1 P03956 6/20 0.36
MMP3 P08254 6/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
MMP13 P45452 5/20 0.36
MMP8 P22894 4/20 0.36
MMP12 P39900 4/20 0.36
MMP14 P50281 4/20 0.36

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
SCHEMBL7314660 0.93 MMP2 (0.37) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7324134 0.92 MMP1 (0.40) TP53MMP2MMP1MMP3PDE4A
SCHEMBL7315550 0.85 ALDH1A1 (0.43) PLA2G2AALDH1A1POLBMAPTMEN1
SCHEMBL7317410 0.83 ALDH1A1 (0.47) PLA2G2AALDH1A1POLBMAPTMEN1
SCHEMBL7316252 0.82 HSP90AA1 (0.46) PLA2G2AALDH1A1POLBMAPTMEN1
SCHEMBL7354908 0.81 ALDH1A1 (0.43) PLA2G2AALDH1A1POLBMAPTMEN1
SCHEMBL7321207 0.81 ALDH1A1 (0.45) PLA2G2AALDH1A1POLBMAPTMEN1
SCHEMBL7313804 0.81 ALDH1A1 (0.45) PLA2G2AALDH1A1POLBMAPTMEN1
SCHEMBL7318307 0.81 ALDH1A1 (0.45) PLA2G2AALDH1A1POLBMAPTMEN1
SCHEMBL7324791 0.80 MMP1 (0.39) ALDH1A1MAPTLMNATP53MMP2

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed