SCHEMBL8862091

SCHEMBL8862091

COc1ccc(CCCCCCCCCC(C)(C)[Si](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)CCCCCCCCCc2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CALM1 P0DP23 1/20 0.44
SIGMAR1 Q99720 3/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LTA4H P09960 1/20 0.41
ALOX15 P16050 2/20 0.40
IGF1R P08069 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 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
SCHEMBL8862044 1.00 TDP1 (0.49) TDP1L3MBTL1CALM1SIGMAR1MMP1
SCHEMBL8862099 0.79 ALDH1A1 (0.45) MMP1MMP2MMP3ALDH1A1
SCHEMBL8862123 0.79 ALDH1A1 (0.45) MMP1MMP2MMP3ALDH1A1
SCHEMBL7388153 0.77 CYP19A1 (0.40) L3MBTL1CALM1
SCHEMBL12040566 0.76 TDP1 (0.75) TDP1L3MBTL1CALM1SIGMAR1LTA4H
SCHEMBL5966301 0.76 TDP1 (0.75) TDP1L3MBTL1CALM1SIGMAR1LTA4H
SCHEMBL27665726 0.75 TDP1 (0.52) TDP1L3MBTL1CALM1SIGMAR1MMP1
SCHEMBL5632470 0.74 LTA4H (0.69) TDP1L3MBTL1CALM1SIGMAR1LTA4H
SCHEMBL532667 0.73 MAOB (0.46) L3MBTL1SIGMAR1
SCHEMBL7795405 0.73 TAAR1 (0.35) SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656636-A TREATING PSORIASIS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
US-5633258-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-27 US disclosed
US-5631262-A Pyridine compounds for treating leukotriene-related diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed