SCHEMBL8100295

SCHEMBL8100295

CC(C)[C@H]1CC[C@@H](C)CC1OC(N)=O.COc1cccc2c1[C@H]1CCNCC1CO2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HPGD P15428 2/20 0.40
CYP19A1 P11511 2/20 0.35
SERPINE1 P05121 3/20 0.34
EPHX1 P07099 2/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7845324 1.00 ALDH1A1 (0.40) ALDH1A1HPGDCYP19A1SERPINE1EPHX1
SCHEMBL8100287 1.00 ALDH1A1 (0.40) ALDH1A1HPGDCYP19A1SERPINE1EPHX1
SCHEMBL7845327 0.79 HTR1A (0.32)
SCHEMBL7844867 0.78 HTR2C (0.38) CYP19A1
SCHEMBL7844871 0.78 HTR2C (0.38) CYP19A1
SCHEMBL6218189 0.69 CYP19A1 (0.37) ALDH1A1HPGDCYP19A1TSHRMAPK1
SCHEMBL6218185 0.69 CYP19A1 (0.37) ALDH1A1HPGDCYP19A1TSHRMAPK1
SCHEMBL7835510 0.69 CYP19A1 (0.37) ALDH1A1HPGDCYP19A1TSHRMAPK1
SCHEMBL10199136 0.68 EPHX1 (0.58) ALDH1A1HPGDCYP19A1EPHX1MAPT
SCHEMBL27914203 0.68 EPHX1 (0.58) ALDH1A1HPGDCYP19A1EPHX1MAPT

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-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