SCHEMBL13310271

SCHEMBL13310271

OCCOc1ccc(/C=N/c2ccc(C(c3ccc(/N=C/c4ccc(OCCO)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RECQL P46063 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
CASP3 P42574 1/20 0.44
BLM P54132 1/20 0.44
PLEC Q15149 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
S100B P04271 1/20 0.40
CTDSP1 Q9GZU7 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
SCHEMBL4943546 0.83 CYP3A4 (0.54) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL17787262 0.78 CYP3A4 (0.50) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL12214816 0.76 CYP3A4 (0.45) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL20629947 0.76 GAA (0.51) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL17787403 0.76 CYP3A4 (0.51) ALDH1A1RECQLMAPTSMN1; SMN2CYP3A4
SCHEMBL18175991 0.76 GAA (0.51) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL3004341 0.75 ESR1 (0.45) ALDH1A1MEN1KMT2AKDM4ERECQL
SCHEMBL11768873 0.73 GAA (0.51) ALDH1A1GAAMEN1KMT2ACTDSP1
SCHEMBL18058250 0.72 ALDH1A1 (0.49) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL1876276 0.70 GAA (0.61) ALDH1A1GAAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741010-B2 Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-7741010-B2 Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20080268371-A1 Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed
US-20080268371-A1 Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed