SCHEMBL20828876

SCHEMBL20828876

C=C(C)CCCCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 3/20 0.41
SOAT1 P35610 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
PAOX Q6QHF9 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 3/20 0.37
BLM P54132 3/20 0.37
PMP22 Q01453 3/20 0.37
LMNA P02545 3/20 0.37
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TARDBP Q13148 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL30512341 0.97 SOAT1 (0.45) TDP1KMT2ASOAT1TP53CYP1A2
SCHEMBL23130129 0.94
SCHEMBL6218947 0.86
SCHEMBL7116355 0.82 HSD17B10 (0.44) TDP1PAOXHSD17B10
Methacrylic Acid SCHEMBL27494561 0.81 TDP1 (0.48) TDP1KMT2ASOAT1TP53CYP1A2
Succinamide SCHEMBL1890528 0.79 TDP1 (0.50) TDP1KMT2ASOAT1TP53CYP1A2
Urea SCHEMBL29201494 0.79 CES1 (0.48) TDP1KMT2ASOAT1TP53CYP1A2
Ethylene SCHEMBL2344319 0.78 KMT2A (0.44) TDP1KMT2ASOAT1TP53CYP1A2
Ethylene SCHEMBL15234457 0.78 KMT2A (0.44) TDP1KMT2ASOAT1TP53CYP1A2
SCHEMBL8466765 0.78 TDP1 (0.41) TDP1KMT2AMEN1PAOXALOX15

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
EP-2507232-B1 PROLINE DERIVATIVES NATIONAL HEALTH RES INST (TW) 2019-03-20 EP disclosed