SCHEMBL8472708

SCHEMBL8472708

O=C(Nc1ccc2c(c1)CCNC2C(=O)Cc1ccc(F)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 10/20 0.52
▸ MTTP P55157 9/20 0.52
▸ SMO Q99835 4/20 0.47
▸ NTRK1 P04629 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.41

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
SCHEMBL6975613 0.83 APOB (0.43) APOBMTTPSMOGAAMAPT
SCHEMBL8206850 0.80 MTTP (0.58) APOBMTTPSMOKDM4EALDH1A1
Xenalipin SCHEMBL9094220 0.79 MTTP (0.40) APOBMTTP
SCHEMBL8211362 0.77 MTTP (0.54) APOBMTTPSMOKDM4E
SCHEMBL6645543 0.76 MTTP (0.61) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8208396 0.76 APOB (0.56) APOBMTTPSMOKDM4E
SCHEMBL6974436 0.76 MTTP (0.53) APOBMTTPSMOCYP1A2CYP2C9
SCHEMBL8210367 0.76 MTTP (0.52) APOBMTTPSMOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6803931 0.76 MTTP (0.60) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL6964506 0.75 APOB (0.44) APOBMTTPSMO

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-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US claimed
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