SCHEMBL9492452

SCHEMBL9492452

CCN(CCO)c1ccc(C=Cc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
PTPN1 P18031 1/20 0.49
MAPT P10636 7/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL3256955 0.92 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13253174 0.84 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL65794 0.81 MAPT (0.61) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3025045 0.79 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3025048 0.79 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL7716054 0.78 RELA (0.50) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL16983236 0.78 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL71401 0.77 PTPN1 (0.73) ALDH1A1PTPN1MAPTMEN1KMT2A
SCHEMBL71402 0.77 PTPN1 (0.73) ALDH1A1PTPN1MAPTMEN1KMT2A
SCHEMBL5379059 0.77 PTPN1 (0.73) ALDH1A1PTPN1MAPTMEN1KMT2A

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-5212269-A Main chain chromophoric polymers with second order nonlinear optical properties UNITED STATES OF AMERICA, THE, AS REPRESENTED BY THE SECRETARY OF THE NAVY 1993-05-18 US disclosed