SCHEMBL5454889

SCHEMBL5454889

CCC(OC)Oc1ccc(C=CC=Cc2ccc(OC(=O)OC(C)(C)Cc3ccc(C=CO)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
CYP24A1 Q07973 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
NLRP3 Q96P20 1/20 0.31
ELANE P08246 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL4968047 0.92 CTSK (0.33) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL6552052 0.90 CYP3A4 (0.35) CTSKCYP24A1CYP3A4CYP1A2CYP2D6
SCHEMBL7263302 0.85 PPARG (0.33) CTSKTAS1R3TAS1R1
SCHEMBL3838403 0.85 CYP3A4 (0.33) CTSKCYP24A1CYP3A4CYP1A2CYP2D6
SCHEMBL6551673 0.82 PPARG (0.35) CTSKCYP24A1CYP3A4CYP1A2CYP2D6
SCHEMBL3837811 0.80 CTSK (0.33) CTSKCYP24A1ELANE
SCHEMBL7265017 0.80 PPARG (0.37) CTSKCYP1A2CYP2C19LMNA
SCHEMBL2495650 0.80 HIF1A (0.37) CTSKCYP24A1CYP3A4CYP1A2CYP2D6
SCHEMBL3844773 0.79 ACACB (0.32) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL7269892 0.78 ELANE (0.34) TAS1R3TAS1R1ELANE

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
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-6949329-B2 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-09-27 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed
US-6656660-B1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-02 US disclosed
US-20030017425-A1 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-01-23 US disclosed
EP-1024406-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 EP disclosed