Sugi Predict

Sugi Predict / Compounds / SCHEMBL8942455

SCHEMBL8942455

SCHEMBL8942455

O=C(O)c1ccc(C(c2ccc(C(=O)O)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HPD P32754 3/20 0.48
▸ AKR1B1 P15121 2/20 0.47
▸ AKR1C4 P17516 2/20 0.47
▸ AKR1C3 P42330 2/20 0.47
▸ AKR1C2 P52895 2/20 0.47
▸ AKR1C1 Q04828 2/20 0.47
▸ FLT1 P17948 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ PPOX P50336 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DTYMK P23919 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 2/20 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
SCHEMBL8492000 0.88 MAPT (0.49) MAPTLMNAHTTHPDAKR1B1
SCHEMBL442397 0.87 HPD (0.60) MAPTLMNAHTTHPDAKR1B1
Ammonia Solution, Strong SCHEMBL28953061 0.86 HPD (0.59) MAPTLMNAHTTHPDAKR1B1
Hydrochloric Acid SCHEMBL11776053 0.86 HPD (0.59) MAPTLMNAHTTHPDAKR1B1
SCHEMBL700691 0.81 NPC1 (0.56) MAPTLMNAHTTHPDAKR1B1
Glycolic Acid SCHEMBL7828115 0.80 HPD (0.46) MAPTLMNAHTTHPDAKR1B1
SCHEMBL22749348 0.80 ALDH1A1 (0.72) MAPTLMNAHTTHPDAKR1B1
SCHEMBL6224986 0.79 AKR1B1 (0.51) MAPTLMNAHTTHPDAKR1B1
SCHEMBL31447707 0.79 ALDH1A1 (0.53) MAPTLMNATDP1MEN1TTR
SCHEMBL4649869 0.79 ALDH1A1 (0.53) MAPTLMNATDP1MEN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255887-B1 PROCESS FOR THE PREPARATION OF 2,2-BIS(3-NITROPHENYL)-HEXA-FLUOROPROPANE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 — — EP claimed
US-4774370-A Process for preparing 2,2-bis-(3-nitrophenyl)-hexafluoropropane, and 2,2-bis-(4-carboxy-3-nitrophenyl)-hexafluoropropane occurring as an intermediate HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-27 — — US claimed
EP-0255887-A1 Process for the preparation of 2,2-bis(3-nitrophenyl)-hexa-fluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-17 — — EP claimed
JP-8176073-A — — None — — JP disclosed
JP-H08176073-A 2,2-BIS-(4-CARBOXY-3-NITROPHENYL)-HEXAFLUOROPROPANE HOECHST AG 1996-07-09 — — JP disclosed
EP-0255887-B1 PROCESS FOR THE PREPARATION OF 2,2-BIS(3-NITROPHENYL)-HEXA-FLUOROPROPANE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 — — EP disclosed
US-4774370-A Process for preparing 2,2-bis-(3-nitrophenyl)-hexafluoropropane, and 2,2-bis-(4-carboxy-3-nitrophenyl)-hexafluoropropane occurring as an intermediate HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-27 — — US disclosed
US-4774370-A Process for preparing 2,2-bis-(3-nitrophenyl)-hexafluoropropane, and 2,2-bis-(4-carboxy-3-nitrophenyl)-hexafluoropropane occurring as an intermediate HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-27 — — US disclosed
US-4774370-A Process for preparing 2,2-bis-(3-nitrophenyl)-hexafluoropropane, and 2,2-bis-(4-carboxy-3-nitrophenyl)-hexafluoropropane occurring as an intermediate HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-27 — — US disclosed
EP-0255887-A1 Process for the preparation of 2,2-bis(3-nitrophenyl)-hexa-fluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-17 — — EP disclosed
EP-0255887-A1 Process for the preparation of 2,2-bis(3-nitrophenyl)-hexa-fluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-17 — — EP disclosed