SCHEMBL7836085

SCHEMBL7836085

CCOC(=O)/C=C/c1ccccc1COC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 3/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44

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
SCHEMBL7836087 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL19780722 0.85 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10783189 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL15631935 0.84 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7955211 0.84 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL24611343 0.84 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7955214 0.84 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL11054639 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7399960 0.82 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL7399959 0.82 CA12 (0.48) CA12CA1CA2CA7CA9

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
EP-0942911-B1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LAB (US) 2001-10-17 EP disclosed
US-6046207-A FOR INHIBITING ALPHA-1 ADRENORECEPTORS AND TREATING BENIGN PROSTATIC HYPERPLASIA, ALSO CALLED BENIGN PROSTATIC HYPERTROPHY, OR OTHER UROLOGICAL OR GYNECOLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER ABBOTT LABORATORIES 2000-04-04 US disclosed
US-5891882-A TREATING BENIGN PROSTATIC HYPERPLASIA OR OTHER UROLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION AND NEUROGENIC BLADDER, OR GYNECOLOGICAL SYNDROMES SUCH AS DYSMENORRHEA ABBOTT LABORATORIES (US) 1999-04-06 US disclosed