Sugi Predict

Sugi Predict / Compounds / SCHEMBL6977207

SCHEMBL6977207

SCHEMBL6977207

CC(C)(CN)CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1.COC(=O)c1cccc(NC(=O)NCC(C)(C)CCCCOc2cccc(-c3ccc(-c4ccc5c(c4)OCO5)cc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 17/20 0.55
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37

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
SCHEMBL6977205 0.97 LTB4R (0.58) LTB4RKDM4EMEN1NPC1ALDH1A1
SCHEMBL6759706 0.94 LTB4R (0.62) LTB4RKDM4EMEN1NPC1ALDH1A1
SCHEMBL6759707 0.92 LTB4R (0.49) LTB4RKDM4EMEN1NPC1ALDH1A1
SCHEMBL6760787 0.89 LTB4R (0.65) LTB4RNPC1RAB9A
SCHEMBL6760792 0.88 LTB4R (0.52) LTB4RNPC1MAPTMAPK1RAB9A
SCHEMBL6762408 0.80 LTB4R (0.75) LTB4R
SCHEMBL6757593 0.77 LTB4R (0.47) LTB4R
SCHEMBL6759615 0.76 LTB4R (0.67) LTB4R
SCHEMBL6759621 0.75 LTB4R (0.53) LTB4RKDM4EMEN1ALDH1A1MAPT
SCHEMBL6757597 0.74 LTB4R (0.38) LTB4RMEN1NPC1ALDH1A1LMNA

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
EP-0999856-B1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-14 — — EP disclosed