SCHEMBL8414526

SCHEMBL8414526

CC(CCOc1ccc(C(=O)O)c(O)c1)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.45
EGFR P00533 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 4/20 0.42
PLA2G4A P47712 1/20 0.42
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4652524 0.90 EGFR (0.46) EGFRMAPK1ALDH1A1
SCHEMBL2958752 0.88 CA12 (0.48) PPARDEGFRMAPK1MAOBCA12
SCHEMBL3297236 0.84 PPARD (0.43) PPARDMAPK1MAOBPLA2G4ACA12
SCHEMBL5840947 0.81 TSHR (0.40) EGFRMAPK1ALDH1A1TSHR
SCHEMBL6363526 0.80 ADRB2 (0.40) PPARDEGFRMAPK1MAOB
SCHEMBL4805729 0.80 EGFR (0.52) EGFRCA12CA1CA2TSHR
SCHEMBL9058674 0.80 MAPK1 (0.68) MAPK1ALDH1A1TSHR
SCHEMBL4653417 0.80 MAOB (0.42) PPARDMAOBCA12ALDH1A1CA1
SCHEMBL4654683 0.79 ALOX15 (0.48) PPARDMAOB
SCHEMBL7785544 0.79 LTA4H (0.46) EGFRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646184-A SEBACEOUS SECRETION INHIBITORY ACTIVITY KAO CORPORATION (JP) 1997-07-08 US claimed
EP-0643035-B1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE KAO CORP (JP) 1999-09-01 EP disclosed
US-5646184-A SEBACEOUS SECRETION INHIBITORY ACTIVITY KAO CORPORATION (JP) 1997-07-08 US disclosed
WO-1996017589-A1 METHOD OF SMOOTHING OR REMOVING WRINKLES AND METHOD OF STIMULATING COLLAGEN SYNTHESIS KAO CORPORATION (JP) 1996-06-13 WO disclosed
EP-0643035-A1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE Kao Corporation (JP) 1995-03-15 EP disclosed