SCHEMBL14003231

SCHEMBL14003231

CN/C(=C/c1ccccc1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.55
AKR1C3 P42330 1/20 0.53
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
HTT P42858 1/20 0.44
FBP1 P09467 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
DHODH Q02127 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AKR1C1 Q04828 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14003229 1.00 RECQL (0.55) RECQLAKR1C3ALDH1A1TSHRMAPT
SCHEMBL1070872 0.86 AKR1C3 (0.55) RECQLAKR1C3ALDH1A1TSHRMAPT
SCHEMBL13879068 0.86 AKR1C3 (0.55) RECQLAKR1C3ALDH1A1TSHRMAPT
SCHEMBL21091997 0.84 ALDH1A1 (0.48) RECQLAKR1C3ALDH1A1TSHRMAPT
SCHEMBL12561790 0.82 RECQL (0.53) RECQLAKR1C3ALDH1A1TSHRMAPT
SCHEMBL20610671 0.82 MCL1 (0.49) RECQLAKR1C3ALDH1A1TSHRMAPT
SCHEMBL19487256 0.82 ALDH1A1 (0.60) ALDH1A1TSHRMAPTGLATDP1
SCHEMBL27542414 0.79 ALDH1A1 (0.42) RECQLAKR1C3ALDH1A1TSHRMAPT
SCHEMBL976605 0.76 AKR1C3 (0.64) RECQLAKR1C3ALDH1A1TSHRMAPT
SCHEMBL976606 0.76 AKR1C3 (0.64) RECQLAKR1C3ALDH1A1TSHRMAPT

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-7449544-B2 p21 peptides CYCLACEL LIMITED (GB) 2008-11-11 US disclosed