SCHEMBL6935903

SCHEMBL6935903

O=c1cc(CO)c2cc3c(cc2o1)oc1ccccc13

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.63
MCL1 Q07820 2/20 0.59
ACHE P22303 2/20 0.57
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51
RECQL P46063 1/20 0.49
NQO1 P15559 1/20 0.49
ALDH1A1 P00352 1/20 0.47
AHR P35869 1/20 0.45
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
CYP19A1 P11511 1/20 0.44
HSD17B3 P37058 1/20 0.43
BCHE P06276 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL5459900 0.87 CA12 (0.61) MAOAMCL1ACHECA12CA1
SCHEMBL30486066 0.87 CA12 (0.61) MAOAMCL1ACHECA12CA1
SCHEMBL28544150 0.77 NFKB1 (0.61) MAOAMCL1CA12CA9ALDH1A1
SCHEMBL1635601 0.77 AHR (0.68) MAOANQO1ALDH1A1AHRCYP1A2
Diethylamine SCHEMBL28338576 0.77 RECQL (0.51) MAOAMCL1ACHECA12CA1
SCHEMBL2672376 0.76 MCL1 (0.65) MAOAMCL1CA12CA1CA9
SCHEMBL8706801 0.75 MCL1 (1.00) MCL1CA12CA1CA9ALDH1A1
SCHEMBL28145932 0.74 MCL1 (0.58) MAOAMCL1ACHECA12CA1
SCHEMBL24523033 0.73 ALDH1A1 (0.58) MCL1CA12CA1CA9RECQL
SCHEMBL12919918 0.73 MCL1 (0.61) MCL1ACHENQO1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957891-B1 REDUCTION OF HAIR GROWTH GILLETTE CO (US) 2003-03-19 EP claimed
US-6037326-A APPLYING TO THE SKIN AN INHIBITOR OF A DNA TOPOISOMERASE GILLETTE COMPANY, THE 2000-03-14 US claimed
EP-0957891-B1 REDUCTION OF HAIR GROWTH GILLETTE CO (US) 2003-03-19 EP disclosed
US-6037326-A APPLYING TO THE SKIN AN INHIBITOR OF A DNA TOPOISOMERASE GILLETTE COMPANY, THE 2000-03-14 US disclosed
EP-0957891-A1 REDUCTION OF HAIR GROWTH HANDELMAN, Joseph H. (US) 1999-11-24 EP disclosed
WO-1998029086-A1 REDUCTION OF HAIR GROWTH HANDELMAN, JOSEPH, H. (US) 1998-07-09 WO disclosed