SCHEMBL3364508

SCHEMBL3364508

CCOc1ccc2cc(C)c(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 3/20 0.66
▸ CA12 O43570 4/20 0.65
▸ CA4 P22748 4/20 0.65
▸ CA7 P43166 4/20 0.65
▸ CA1 P00915 3/20 0.65
▸ CA5B Q9Y2D0 3/20 0.65
▸ CA6 P23280 3/20 0.65
▸ CA9 Q16790 3/20 0.65
▸ CA14 Q9ULX7 3/20 0.65
▸ CA5A P35218 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ MAOB P27338 6/20 0.60
▸ CA2 P00918 3/20 0.60
▸ ALDH1A1 P00352 6/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ACHE P22303 1/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ HPGD P15428 4/20 0.56
▸ GAA P10253 3/20 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
SCHEMBL11054587 0.85 KDM4E (0.76) GLACA12CA4CA7CA1
SCHEMBL15842327 0.84 GLA (0.66) GLACA12CA4CA7CA1
SCHEMBL8756380 0.83 GLA (0.64) GLACA12CA4CA7CA1
SCHEMBL14343072 0.83 GLA (0.64) GLACA12CA4CA7CA1
SCHEMBL11502238 0.82 MAOB (0.66) GLACA12CA4CA7CA1
SCHEMBL31202700 0.82 CA12 (0.66) GLACA12CA4CA7CA1
SCHEMBL10305766 0.82 ALDH1A1 (0.63) GLACA12CA4CA7CA1
SCHEMBL15842294 0.82 GLA (0.63) GLACA12CA4CA7CA1
SCHEMBL24176809 0.81 ALDH1A1 (0.81) GLACA12CA4CA7CA1
SCHEMBL31166652 0.81 GLA (0.61) GLACA12CA4CA7CA1

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
EP-1617812-B1 PHOTORESPONSIVE FRAGRANCES PHO DERMA INC (US) 2010-10-06 — — EP disclosed
EP-1617812-A2 PHOTORESPONSIVE FRAGRANCES Pho Derma, Inc. (US) 2006-01-25 — — EP disclosed
US-20050020459-A1 Carrier solution for cleaning purposes or topical applying SOLARBRE, INC. 2005-01-27 — — US disclosed
WO-2004084853-A2 PHOTORESPONSIVE FRAGRANCES PHO DERMA, INC. (US) 2004-10-07 — — WO disclosed
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