SCHEMBL6456595

SCHEMBL6456595

COc1cc(OC)cc(C(=O)N2CCOCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
RAB9A P51151 2/20 0.69
ALDH1A1 P00352 4/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
TSHR P16473 1/20 0.60
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.57
GLA P06280 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL3576242 0.90 L3MBTL1 (0.64) L3MBTL1RAB9AALDH1A1GAAKMT2A
SCHEMBL3579003 0.85 KDM4E (0.61) L3MBTL1RAB9AALDH1A1GAAKMT2A
SCHEMBL9792247 0.83 HPGD (0.79) L3MBTL1RAB9AALDH1A1GAAKMT2A
SCHEMBL29944022 0.83 HPGD (0.67) ALDH1A1GAATSHRHPGDKDM4E
SCHEMBL9356002 0.81 MAPT (0.69) L3MBTL1ALDH1A1GAAKMT2AHPGD
Trimetozine SCHEMBL114786 0.81 MAPT (0.72) L3MBTL1ALDH1A1GAAKMT2AHPGD
SCHEMBL12974650 0.80 ALDH1A1 (0.61) L3MBTL1RAB9AALDH1A1GAATSHR
SCHEMBL16026516 0.80 ALDH1A1 (0.61) ALDH1A1GAATSHRKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9621122 0.79 ALDH1A1 (0.60) ALDH1A1GAATSHRHPGDKDM4E
SCHEMBL25817002 0.78 ALDH1A1 (0.63) L3MBTL1RAB9AALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943194-B1 Synthesis of phenstatin and prodrugs thereof ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2005-09-13 US disclosed
EP-1045689-A4 SYNTHESIS OF PHENSTATIN AND PRODRUGS THEREOF UNIV ARIZONA STATE (US) 2003-04-23 EP disclosed
EP-1045689-A1 SYNTHESIS OF PHENSTATIN AND PRODRUGS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA acting for and on behalf of ARIZONA STATE UNIVERSITY (US) 2000-10-25 EP disclosed
WO-1999034788-A1 SYNTHESIS OF PHENSTATIN AND PRODRUGS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE, ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1999-07-15 WO disclosed