SCHEMBL8049006

SCHEMBL8049006

COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.86
LMNA P02545 5/20 0.86
MEN1 O00255 4/20 0.86
KMT2A Q03164 4/20 0.86
NPC1 O15118 9/20 0.71
RAB9A P51151 9/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
RECQL P46063 1/20 0.63
TRPA1 O75762 1/20 0.62
TRPM8 Q7Z2W7 1/20 0.62
LTB4R Q15722 1/20 0.60
BCHE P06276 2/20 0.59
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58

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
SCHEMBL8049008 1.00 MAPT (0.86) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL7624571 0.89 MAPT (0.80) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL6757890 0.88 MAPT (0.75) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL6756655 0.85 MAPT (0.74) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL6756656 0.85 MAPT (0.74) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL6756657 0.85 MAPT (0.74) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL8047996 0.85 LTB4R (0.63) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL8047990 0.85 LTB4R (0.63) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL9607442 0.83 MEN1 (0.77) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL7822415 0.83 SMN1; SMN2 (0.65) MAPTLMNAMEN1KMT2ANPC1

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
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed