SCHEMBL9130705

SCHEMBL9130705

COc1ccc(C)c(OC[C]=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.39
APLNR P35414 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
AR P10275 1/20 0.38
TSHR P16473 1/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7345562 0.84 CA12 (0.59) GAACA12CA1CA2CA7
SCHEMBL15747179 0.83 MAOB (0.46) GAATDP1CA12CA1CA2
SCHEMBL5255101 0.80 TSHR (0.53) GAATDP1ALDH1A1KDM4ECYP1A2
SCHEMBL14183054 0.78 CA12 (0.48) GAATDP1CA12CA1CA2
SCHEMBL13924822 0.77 CA12 (0.47) GAATDP1CA12CA1CA2
SCHEMBL2641343 0.75 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL15251098 0.75 GAA (0.45) GAATDP1CA12CA1CA2
SCHEMBL2641220 0.75 CA2 (0.55) GAACA12CA1CA2CA7
SCHEMBL29837419 0.75 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL140807 0.75 CA12 (0.65) CA12CA1CA2CA7CA9

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
US-5468470-A Radiation resistance and sunscreen agents 3V INC. (US) 1995-11-21 US disclosed
US-5362481-A Useful in cosmetics and dermatology 3V INC. (US) 1994-11-08 US disclosed
EP-0613893-A1 Benzofuran derivatives and the use thereof as stabilizers against UV radiations 3V SIGMA S.p.A (IT) 1994-09-07 EP disclosed