SCHEMBL17424488

SCHEMBL17424488

CC(C)CN(CC(=O)N(CN)CC(=O)N(CC(=O)N(CC(=O)N(CN)CC(=O)N(CC(=O)N(CN)CC(=O)N(CN)CC(N)=O)CC(C)C)Cc1ccc2c(c1)OCO2)C(C)c1ccccc1)C(=O)CNCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.47
GAA P10253 2/20 0.41
VIM P08670 1/20 0.40
MC4R P32245 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
BMP1 P13497 1/20 0.36
OPRD1 P41143 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.34

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
SCHEMBL17424480 0.92 CREBBP (0.40) CREBBPGAAVIMMC4RMC3R
SCHEMBL13671131 0.83 CREBBP (0.51) CREBBPGAAVIMMC4RMC3R
SCHEMBL12754797 0.82 CREBBP (0.50) CREBBPGAAVIMMC4RMC3R
SCHEMBL17424484 0.81 CREBBP (0.49) CREBBPGAAVIMMC4RMC3R
SCHEMBL21565404 0.80 CREBBP (0.50) CREBBPGAAVIMMC4RMC3R
SCHEMBL20906815 0.80 CREBBP (0.55) CREBBPVIMMC4RMC3RALDH1A1
SCHEMBL25696093 0.77 ALDH1A1 (0.46) CREBBPGAAVIMMC4RMC3R
SCHEMBL20906872 0.76 CREBBP (0.42) CREBBPGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL20906849 0.76 CREBBP (0.51) CREBBPVIMMC4RMC3RALDH1A1
SCHEMBL17366443 0.73 CREBBP (0.43) CREBBPVIMMC4RMC3RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233162-B2 High affinity VEGF-receptor antagonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-12 US disclosed