SCHEMBL8045583

SCHEMBL8045583

COc1ccccc1C(CC(=O)O)C[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
POLB P06746 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 1/20 0.50
CNR1 P21554 1/20 0.47
JAK2 O60674 1/20 0.46
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
CTSA P10619 2/20 0.40
CYP2C19 P33261 1/20 0.40
CPA1 P15085 3/20 0.40
PTGFR P43088 2/20 0.39

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
SCHEMBL8049606 1.00 NPSR1 (0.55) NPSR1POLBHTTL3MBTL1MAPT
SCHEMBL8045579 1.00 NPSR1 (0.55) NPSR1POLBHTTL3MBTL1MAPT
SCHEMBL27165029 0.90 NPSR1 (0.52) NPSR1POLBHTTL3MBTL1MAPT
SCHEMBL27165133 0.90 NPSR1 (0.52) NPSR1POLBHTTL3MBTL1MAPT
SCHEMBL6562859 0.88 NPSR1 (0.74) NPSR1POLBHTTL3MBTL1MAPT
SCHEMBL22831474 0.88 NPSR1 (0.74) NPSR1POLBHTTL3MBTL1MAPT
SCHEMBL18150761 0.85 POLB (0.73) NPSR1POLBHTTL3MBTL1SMN1; SMN2
SCHEMBL30781902 0.85 POLB (0.73) NPSR1POLBHTTL3MBTL1SMN1; SMN2
SCHEMBL16971277 0.83 MAPT (0.48) POLBHTTL3MBTL1MAPTCYP1A2
SCHEMBL16971278 0.83 MAPT (0.48) POLBHTTL3MBTL1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133275-A ALPHA 1 ADRENORECEPTOR ANTAGONISTS; TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER UROLOGICAL DISEASES E.G., BLADDER OUTLET OBSTRUCTION), NEUROGENIC BLADDER AND GYNECOLOGICAL SYNDROMES, E.G., DYSMENORRHEA; UTERINE MUSCLE RELAXANTS ABBOTT LABORATORIES (US) 2000-10-17 US disclosed