SCHEMBL9118601

SCHEMBL9118601

COC(=O)c1ccc(OC)cc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 2/20 0.50
CCR6 P51684 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
CFTR P13569 1/20 0.46
ESRRA P11474 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PARP14 Q460N5 1/20 0.46

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
SCHEMBL1365207 0.85 MAPT (0.71) MAPTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL10791384 0.84 TDP1 (0.63) MAPTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL1367400 0.83 MAPT (0.56) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL9119989 0.82 CFTR (0.64) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL5739859 0.82 L3MBTL1 (0.56) MAPTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL21332706 0.81 MAPT (0.57) MAPTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL1450704 0.81 CFTR (0.60) MAPTTDP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL30959714 0.81 CFTR (0.60) MAPTTDP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL31719692 0.79 PARP14 (0.61) MAPTTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8077154 0.79 MAPT (0.54) MAPTTDP1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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