SCHEMBL19748469

SCHEMBL19748469

CC(C)(C)C(=O)N1C(=C2C(=O)c3ccccc3N2C(=O)C(C)(C)C)C(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TTR P02766 1/20 0.42
CTRB1 P17538 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
NOTUM Q6P988 1/20 0.38
ELANE P08246 1/20 0.37
BCHE P06276 1/20 0.37
TGM2 P21980 1/20 0.37

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
SCHEMBL9917537 0.82 CES1 (0.76) CES1MEN1KMT2ATTRCTRB1
SCHEMBL19747937 0.82 CES1 (0.76) CES1MEN1KMT2ATTRCTRB1
SCHEMBL9917546 0.82 CES1 (0.76) CES1MEN1KMT2ATTRCTRB1
SCHEMBL13415040 0.79 BCHE (0.55) CES1TTRCTRB1ALDH1A1MAPT
SCHEMBL21282125 0.77 CES1 (0.53) CES1MEN1KMT2ATTRCTRB1
SCHEMBL19747671 0.76 CES1 (0.53) CES1MEN1KMT2ATTRCTRB1
SCHEMBL19747651 0.76 CES1 (0.76) CES1MEN1KMT2ATTRCTRB1
SCHEMBL21282131 0.74 P2RX4 (0.51) CES1KMT2ACTRB1ALDH1A1MAPK1
SCHEMBL21282102 0.70 CES1 (0.46) CES1TTRCTRB1ALDH1A1MAPT
SCHEMBL19747674 0.70 BCHE (0.54) CES1MEN1KMT2ACTRB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193038-A1 METHODS OF DIGITAL PRINTING USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2023-06-22 US claimed
US-20210189643-A1 FOAM DYEING METHODS USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2021-06-24 US claimed
EP-3475366-A1 MODIFIED INDIGO COMPOUNDS AND METHODS OF DYEING A SUBSTRATE USING A MODIFIED INDIGO COMPOUND VF Jeanswear, L.P. (US) 2019-05-01 EP claimed
WO-2017223369-A1 MODIFIED INDIGO COMPOUNDS AND METHODS OF DYEING A SUBSTRATE USING A MODIFIED INDIGO COMPOUND VF JEANSWEAR LP (US) 2017-12-28 WO claimed
US-20230193038-A1 METHODS OF DIGITAL PRINTING USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2023-06-22 US disclosed
US-11208559-B2 Modified indigo compounds and methods of dyeing a substrate using a modified indigo compound THE H.D. LEE COMPANY, INC. (US) 2021-12-28 US disclosed
US-20210189643-A1 FOAM DYEING METHODS USING MODIFIED INDIGO COMPOUNDS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2021-06-24 US disclosed
US-20190256710-A1 MODIFIED INDIGO COMPOUNDS AND METHODS OF DYEING A SUBSTRATE USING A MODIFIED INDIGO COMPOUND JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-08-22 US disclosed
EP-3475366-A1 MODIFIED INDIGO COMPOUNDS AND METHODS OF DYEING A SUBSTRATE USING A MODIFIED INDIGO COMPOUND VF Jeanswear, L.P. (US) 2019-05-01 EP disclosed
WO-2017223369-A1 MODIFIED INDIGO COMPOUNDS AND METHODS OF DYEING A SUBSTRATE USING A MODIFIED INDIGO COMPOUND VF JEANSWEAR LP (US) 2017-12-28 WO disclosed