SCHEMBL6162547

SCHEMBL6162547

COc1ccc(C=C(CCC(C)C)C(=O)O)cc1.COc1ccc(C=CC(=O)OC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
LMNA P02545 1/20 0.57
CA12 O43570 1/20 0.49
AKR1B10 O60218 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
GSK3B P49841 2/20 0.45
F3 P13726 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 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
Amiloxate SCHEMBL29696497 0.88 LMNA (0.76) TDP1LMNANPC1RAB9ATHRB
SCHEMBL196087 0.87 LMNA (0.50) TDP1LMNANPC1RAB9ATHRB
SCHEMBL8375339 0.86 TDP1 (0.66) TDP1LMNANPC1RAB9ATHRB
SCHEMBL15838 0.82 CA12 (0.71) TDP1LMNACA12AKR1B10CA1
SCHEMBL342878 0.82 CA12 (0.71) TDP1LMNACA12AKR1B10CA1
Acetic Acid SCHEMBL28512748 0.80 CA12 (0.65) TDP1LMNACA12AKR1B10CA1
Water SCHEMBL8001684 0.80 CA12 (0.69) TDP1LMNACA12AKR1B10CA1
Amiloxate SCHEMBL3136516 0.80 LMNA (0.88) TDP1LMNACA12AKR1B10CA1
Propionic Acid SCHEMBL28056113 0.80 CA12 (0.60) TDP1LMNACA12AKR1B10CA1
SCHEMBL25221843 0.79 TDP1 (0.80) TDP1LMNACA12AKR1B10CA1

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-0797984-B1 Anti-aging cosmetic composition SHISEIDO CO LTD (JP) 2005-02-16 EP disclosed
US-5853705-A Anti-aging cosmetic composition SHISEIDO COMPANY, LTD. (JP) 1998-12-29 US disclosed
EP-0797984-A2 Anti-aging cosmetic composition SHISEIDO COMPANY LIMITED (JP) 1997-10-01 EP disclosed