SCHEMBL27543799

SCHEMBL27543799

O=C(CO)c1c(O)c(=O)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
LMNA P02545 5/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 3/20 0.53
KMT2A Q03164 3/20 0.53
NQO1 P15559 3/20 0.53
MEN1 O00255 2/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
ABCB11 O95342 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4D Q08499 1/20 0.53
PCSK7 Q16549 1/20 0.53
GPR35 Q9HC97 1/20 0.53
HTT P42858 3/20 0.52
KDM4E B2RXH2 4/20 0.50

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
SCHEMBL1648026 0.81 CA12 (0.58) CA12CA9LMNAALDH1A1TP53
SCHEMBL26335570 0.76 CA12 (0.56) CA12CA9LMNAALDH1A1TP53
SCHEMBL29379994 0.75 KDM4E (0.69) CA12CA9LMNAALDH1A1TP53
SCHEMBL7737431 0.75 KDM4E (0.69) CA12CA9LMNAALDH1A1TP53
SCHEMBL29872 0.75 KDM4E (0.69) CA12CA9LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL8701572 0.73 KDM4E (0.67) CA12CA9LMNAALDH1A1TP53
SCHEMBL7355901 0.73 KDM4E (0.50) ALDH1A1NQO1CYP3A4CYP2C9KDM4E
SCHEMBL15842451 0.72 CA12 (0.51) CA12CA9LMNAALDH1A1TP53
SCHEMBL27711802 0.72 HTT (0.57) CA12CA9LMNAALDH1A1TP53
SCHEMBL17169392 0.72 LMNA (0.86) CA12CA9LMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315454-C Topical compositions for regulating oily/shiny appearance of skin PROCTER & GAMBLE (US) 2007-05-16 CN disclosed
CN-1281354-A Topical composition for regulating oily/shiny appearance of skin PROCTER & GAMBLE (US) 2001-01-24 CN disclosed