SCHEMBL3176397

SCHEMBL3176397

CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.82
TDP1 Q9NUW8 3/20 0.82
CYP3A4 P08684 3/20 0.82
HSD17B10 Q99714 3/20 0.82
HPGD P15428 3/20 0.82
HIF1A Q16665 1/20 0.82
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GPR55 Q9Y2T6 2/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
TYMS P04818 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1369193 0.99 ALDH1A1 (0.80) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL8322552 0.97 ALDH1A1 (0.78) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL536831 0.96 ALDH1A1 (0.80) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL1074866 0.92 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL11070229 0.92 ALDH1A1 (0.73) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL18143522 0.91 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL27188 0.91 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL8930953 0.90 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL10693003 0.90 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL28034105 0.90 TDP1 (0.82) ALDH1A1TDP1CYP3A4HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4820840-A RING CLOSURE USING ALUMINUM HALIDE AND CARBONYL COMPOUND APPLETON PAPERS INC. (US) 1989-04-11 US claimed
US-7645396-B2 1,2-bis(3-methylphenoxy)ethane composition and thermal recording media made by using the same SANKO CO., LTD. (JP) 2010-01-12 US disclosed
US-7566682-B2 1,2-bis(3-methylphenoxy)ethane composition and thermal recording media made by using the same SANKO CO., LTD (JP) 2009-07-28 US disclosed
US-20090166594-A1 1,2-BIS(3-METHYLPHENOXY)ETHANE COMPOSITION AND THERMAL RECORDING MEDIA MADE BY USING THE SAME SANKO CO., LTD. (JP) 2009-07-02 US disclosed
US-20070111887-A1 1,2-Bis(3-methylphenoxy)ethane composition and thermal recording media made by using the same SANKO CO., LTD. (JP) 2007-05-17 US disclosed
EP-1595714-B1 1,2-BIS(3-METHYLPHENOXY)ETHANE COMPOSITION AND THERMAL RECORDING MEDIA MADE BY USING THE SAME SANKO CO LTD (JP) 2007-04-11 EP disclosed
EP-1595714-A1 1,2-BIS(3-METHYLPHENOXY)ETHANE COMPOSITION AND THERMAL RECORDING MEDIA MADE BY USING THE SAME Sanko Co., Ltd. (JP) 2005-11-16 EP disclosed
EP-0278614-B1 A PROCESS FOR PRODUCING FLUORENE COMPOUNDS Yamamoto Chemicals, Inc. (JP) 1992-12-23 EP disclosed
US-4820840-A RING CLOSURE USING ALUMINUM HALIDE AND CARBONYL COMPOUND APPLETON PAPERS INC. (US) 1989-04-11 US disclosed
EP-0278614-A1 A process for producing fluorene compounds Yamamoto Chemicals, Inc. (JP) 1988-08-17 EP disclosed
US-4580153-A COLOR FORMING BETWEEN COLORLESS CHROMOGENIC VINYL PHTHALIDE COMPOUND AND ELECTRON ACCEPTOR KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1986-04-01 US disclosed