SCHEMBL6963671

SCHEMBL6963671

O=C1CCC(O)(c2ccccc2OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.47
PTK2B Q14289 1/20 0.47
LIPE Q05469 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TTR P02766 1/20 0.40
BLM P54132 1/20 0.40
PLA2G1B P04054 1/20 0.40
POLB P06746 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL12804885 0.85 ALPG (0.47) ALPGPTK2BLIPEMAPTMAPK1
SCHEMBL1513365 0.81 SIGMAR1 (0.61) ALPGPTK2BLIPEMAPTMAPK1
SCHEMBL1513216 0.78 OPRL1 (0.60) MEN1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL7158861 0.78 ALPG (0.41) ALPGPTK2BLIPEMAPTMAPK1
SCHEMBL613068 0.77 SIGMAR1 (0.64) MAPTMAPK1ALDH1A1KMT2APOLB
SCHEMBL5691564 0.77 MMP13 (0.50) MAPTL3MBTL1POLBMAOAMAOB
SCHEMBL7506800 0.77 MEN1 (0.52) L3MBTL1MEN1KMT2A
SCHEMBL11245745 0.75 OPRL1 (0.46) L3MBTL1MEN1KMT2APOLB
Ethylene SCHEMBL8402234 0.75 SIGMAR1 (0.60) MAPTMAPK1ALDH1A1KMT2APOLB
SCHEMBL6256635 0.73 P4HTM (0.50) POLBMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed