SCHEMBL7787627

SCHEMBL7787627

COc1ccc(C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.58
ALDH1A1 P00352 8/20 0.56
LMNA P02545 5/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
RAF1 P04049 1/20 0.56
HPGD P15428 1/20 0.56
GFER P55789 1/20 0.56
PAX8 Q06710 1/20 0.56
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 4/20 0.54
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL3824914 0.91 ALDH1A1 (0.63) ALDH1A1LMNAMAPTMAPK1RAF1
SCHEMBL10585792 0.87 ALDH1A1 (0.67) ALDH1A1LMNAMAPTMAPK1RAF1
SCHEMBL4818648 0.87 CYP3A4 (0.69) TTRALDH1A1LMNAMAPTMAPK1
SCHEMBL7785541 0.86 TTR (0.59) TTRALDH1A1LMNAMAPTMAPK1
SCHEMBL7365333 0.85 TTR (0.75) TTRALDH1A1LMNAMAPTMAPK1
SCHEMBL4818681 0.83 ALDH1A1 (0.59) ALDH1A1LMNAMAPTMAPK1RAF1
SCHEMBL4818707 0.83 TUBB4A (0.62) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL2156946 0.82 ALDH1A1 (0.63) TTRALDH1A1LMNAMAPTCYP3A4
SCHEMBL232059 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2
SCHEMBL4337680 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPTCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed