SCHEMBL8740797

SCHEMBL8740797

CCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 7/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
TTR P02766 1/20 0.50
PPOX P50336 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
HPD P32754 1/20 0.47
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL8077154 0.89 MAPT (0.54) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL8077157 0.88 MAPT (0.48) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL9120684 0.86 MAPT (0.48) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL8438235 0.83 MAPT (0.46) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL8077059 0.82 ALDH1A1 (0.51) MAPTLMNAMEN1KMT2APOLB
Ammonia Solution, Strong SCHEMBL8433971 0.82 MAPT (0.45) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL9282689 0.82 MAPT (0.45) MAPTTDP1LMNAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL8433967 0.82 MAPT (0.45) MAPTTDP1LMNAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL8433966 0.82 MAPT (0.45) MAPTTDP1LMNAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL5720361 0.81 MAPT (0.45) MAPTTDP1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799198-A4 1997-10-15 EP disclosed
EP-0799198-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
WO-1995033461-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed