SCHEMBL19748883

SCHEMBL19748883

O=C1C(=C2C(=O)c3ccccc3N2C(=O)C2CCCCC2)N(C(=O)C2CCCCC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
HTR2A P28223 1/20 0.56
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CES1 P23141 3/20 0.44
ELANE P08246 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
RIPK1 Q13546 2/20 0.42
KEAP1 Q14145 1/20 0.41
BRD4 O60885 1/20 0.41
TRPA1 O75762 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
SCHEMBL9917546 0.73 CES1 (0.76) BCHEALDH1A1GAACES1TRPA1
SCHEMBL19747937 0.73 CES1 (0.76) BCHEALDH1A1GAACES1TRPA1
SCHEMBL9917537 0.73 CES1 (0.76) BCHEALDH1A1GAACES1TRPA1
SCHEMBL21282125 0.72 CES1 (0.53) BCHEALDH1A1GAACES1NPSR1
SCHEMBL8296126 0.70 ALDH1A1 (0.63) BCHEPOLBTSHRALDH1A1GAA
SCHEMBL21282131 0.69 P2RX4 (0.51) BCHETSHRALDH1A1GAACES1
SCHEMBL19748469 0.68 CES1 (0.53) BCHEALDH1A1CES1ELANEMEN1
SCHEMBL19747651 0.68 CES1 (0.76) BCHEPOLBALDH1A1CES1MEN1
SCHEMBL19747671 0.68 CES1 (0.53) BCHECYP2C19TSHRALDH1A1CES1
SCHEMBL21273810 0.68 CNR2 (0.50) TSHRALDH1A1CES1CNR2NPSR1

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 12 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-20210403718-A1 Modified Indigo Compounds and Methods of Dyeing a Substrate Using a Modified Indigo Compound THE H.D. LEE COMPANY, INC. (US) 2021-12-30 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-20210403718-A1 Modified Indigo Compounds and Methods of Dyeing a Substrate Using a Modified Indigo Compound THE H.D. LEE COMPANY, INC. (US) 2021-12-30 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