SCHEMBL7315601

SCHEMBL7315601

COC(=O)c1c(Cc2ccccc2)c(C)c(N)c(C)c1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.47
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSP90B1 P14625 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.39
KLF5 Q13887 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL7317410 0.90 ALDH1A1 (0.47) PLA2G2AMAPTLMNAALDH1A1GAA
SCHEMBL7316889 0.89 MMP1 (0.41) PLA2G2AMAPTLMNAALDH1A1GAA
SCHEMBL7317152 0.88 MMP1 (0.38) PLA2G2AMAPTLMNAALDH1A1KMT2A
SCHEMBL7322659 0.81 MMP2 (0.47) MAPTALDH1A1GAAMEN1POLB
SCHEMBL7313804 0.81 ALDH1A1 (0.45) PLA2G2AMAPTLMNAALDH1A1GAA
SCHEMBL7321207 0.81 ALDH1A1 (0.45) PLA2G2AMAPTLMNAALDH1A1GAA
SCHEMBL7318307 0.81 ALDH1A1 (0.45) PLA2G2AMAPTLMNAALDH1A1GAA
SCHEMBL7324368 0.81 CA1 (0.42) PLA2G2AMAPTLMNAALDH1A1PKM
SCHEMBL7316532 0.80 ALDH1A1 (0.44) PLA2G2AMAPTLMNAALDH1A1GAA
SCHEMBL7323399 0.80 MMP9 (0.49) MMP1MMP2MMP3MMP9MMP12

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