SCHEMBL18543740

SCHEMBL18543740

C/C(=C/c1ccccc1C)[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.59
ALDH1A1 P00352 6/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
JAK2 O60674 1/20 0.45
MITF O75030 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NTSR1 P30989 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
ABL2 P42684 1/20 0.45
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL28587209 0.86 FBP1 (0.51) FBP1ALDH1A1TSHRMAPTLMNA
SCHEMBL19439379 0.81 FBP1 (0.59) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL19439378 0.81 FBP1 (0.59) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL7115708 0.81 FBP1 (0.42) FBP1ALDH1A1TSHRMAPTLMNA
SCHEMBL7115702 0.81 FBP1 (0.42) FBP1ALDH1A1TSHRMAPTLMNA
SCHEMBL3119062 0.80 FBP1 (0.58) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL28902127 0.80 FBP1 (0.58) FBP1ALDH1A1TSHRMAPTMEN1
SCHEMBL29248001 0.80 ALDH1A1 (0.44) FBP1ALDH1A1TSHRMAPTMEN1
SCHEMBL18543104 0.80 FBP1 (0.58) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL3119067 0.80 FBP1 (0.58) FBP1ALDH1A1MAPTLMNAMEN1

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
WO-2017029104-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID UNILEVER PLC (GB) 2017-02-23 WO disclosed