SCHEMBL8077157

SCHEMBL8077157

CCC(C)(C)c1cc(C)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
LMNA P02545 6/20 0.44
HPD P32754 1/20 0.44
POLB P06746 2/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9187272 0.91 MAPT (0.47) MAPTTDP1MEN1KMT2ATTR
SCHEMBL8740797 0.88 MAPT (0.56) MAPTTDP1MEN1KMT2ATTR
SCHEMBL8075204 0.83 KDM4E (0.47) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL9120684 0.83 MAPT (0.48) MAPTTDP1MEN1KMT2ATTR
SCHEMBL8077154 0.80 MAPT (0.54) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL9183496 0.77 MAPT (0.51) MAPTTDP1MEN1KMT2ATTR
Ammonia Solution, Strong SCHEMBL8075208 0.76 MRGPRX4 (0.39) TTRPOLB
SCHEMBL8438235 0.75 MAPT (0.46) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL8435213 0.75 SMN1; SMN2 (0.52) MAPTTDP1MEN1KMT2ATTR
Ammonia Solution, Strong SCHEMBL8433971 0.74 MAPT (0.45) MAPTTDP1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 EP disclosed
EP-0799198-A4 1997-10-15 EP disclosed
EP-0799198-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 US 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
US-5447957-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-09-05 US disclosed