SCHEMBL9626893

SCHEMBL9626893

COc1ccc(C(=O)c2ccccc2)c(OCC(O)CO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KDM4E B2RXH2 1/20 0.57
LMNA P02545 4/20 0.56
MAPK1 P28482 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 2/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PGR P06401 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
SLC6A2 P23975 1/20 0.56
PDE4A P27815 1/20 0.56
HRH1 P35367 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PDE4D Q08499 1/20 0.56
NPC1 O15118 1/20 0.55
TSHR P16473 2/20 0.53
AGTR1 P30556 1/20 0.52
ABCB1 P08183 5/20 0.52

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
SCHEMBL8030271 0.89 POLB (0.60) POLBKDM4ELMNAMAPK1CYP1A2
Hydrochloric Acid SCHEMBL9618940 0.88 POLB (0.59) POLBKDM4ELMNAMAPK1CYP1A2
SCHEMBL7754052 0.83 ABCB1 (0.69) KDM4ELMNACYP1A2AGTR1ABCB1
Oxybenzone SCHEMBL9626888 0.82 HPGD (0.79) POLBKDM4ELMNAMAPK1CYP1A2
SCHEMBL29260273 0.82 POLB (0.67) POLBKDM4ELMNAMAPK1CYP1A2
SCHEMBL30205105 0.81 NPC1 (0.81) POLBKDM4ELMNAMAPK1CYP1A2
SCHEMBL3224251 0.81 NPC1 (0.81) POLBKDM4ELMNAMAPK1CYP1A2
SCHEMBL9856196 0.80 POLB (0.76) POLBKDM4ELMNAMAPK1CYP1A2
SCHEMBL7753048 0.80 MAPK1 (0.58) LMNAMAPK1CYP1A2CYP2C19HTT
SCHEMBL9787076 0.79 POLB (0.74) POLBKDM4ELMNAMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0197485-B1 SUBSTANTIVE SKIN CARE COMPOSITIONS COMPRISING A POLYDIORGANOSILOXANE DOW CORNING CORPORATION (US) 1992-03-04 EP disclosed
EP-0197485-A2 Substantive skin care compositions comprising a polydiorganosiloxane DOW CORNING CORPORATION (US) 1986-10-15 EP disclosed
US-4457910-A WATER-INSOLUBLE NONIONIC SURFACTANT ZARLEY, MCKEE, THOMTE, VOORHEES & SEASE (US) 1984-07-03 US disclosed
US-4335104-A TOPICAL COSMETIC OR INSECT REPELLENT UNITED CHEMICAL CORPORATION (US) 1982-06-15 US disclosed
EP-0016203-A1 ANHYDROUS MULTI-PURPOSE MOISTURIZING COMPOSITION UNITED CHEMICAL CORPORATION (US) 1980-10-01 EP disclosed
WO-1980000410-A1 ANHYDROUS MULTI-PURPOSE MOISTURIZING COMPOSITION UNITED CHEM CORP (US) 1980-03-20 WO disclosed