SCHEMBL17060547

SCHEMBL17060547

C=CC(=O)N(CC1CCCO1)C(C(O)CC(NCC1CCCO1)(NCC1CCCO1)C(C)O)N(CC1CCCO1)C(=O)C=C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
UBE2N P61088 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
PKM P14618 1/20 0.32
NPC1 O15118 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
SCHEMBL17060548 0.72 HTT (0.35) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL611099 0.67 OXTR (0.43) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL15694271 0.66 OXTR (0.38) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL15715628 0.63 OXTR (0.40) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL21828769 0.63 LMNA (0.42) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL15663014 0.63 OXTR (0.40) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
Acrylic Acid SCHEMBL9562170 0.62 USP2 (0.38) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL368181 0.62 SMN1; SMN2 (0.58) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL12184848 0.60 LMNA (0.41) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL24323711 0.60 MEN1 (0.46) KMT2AMEN1LMNAHPGDSMN1; SMN2

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-2914234-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2015-09-09 EP disclosed