SCHEMBL19982900

SCHEMBL19982900

N#CC(C(O)C(=O)NC1CC1)N(C=O)CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
EPHX1 P07099 2/20 0.36
CTSK P43235 5/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
CTSH P09668 3/20 0.34
METAP2 P50579 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL19982898 0.84 EPHX1 (0.35) EPHX1CTSKCTSLCTSBCTSH
SCHEMBL19974754 0.81 EPHX1 (0.39) HPGDKMT2AEPHX1METAP2SMN1; SMN2
SCHEMBL19975141 0.70 EPHX1 (0.41) HPGDKMT2AEPHX1SMN1; SMN2NPC1
SCHEMBL19974838 0.65 SMN1; SMN2 (0.40) KMT2AEPHX1METAP2TSHRSMN1; SMN2
SCHEMBL19975400 0.65 SMN1; SMN2 (0.40) KMT2AEPHX1METAP2TSHRSMN1; SMN2
SCHEMBL26980521 0.65 EPHX1 (0.58) HPGDKMT2AEPHX1SMN1; SMN2NPC1
SCHEMBL14602767 0.65 EPHX1 (0.58) HPGDKMT2AEPHX1SMN1; SMN2NPC1
SCHEMBL13209041 0.65 EPHX1 (0.58) HPGDKMT2AEPHX1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL14973792 0.64 METAP2 (0.56) HPGDKMT2AEPHX1METAP2CPB2
SCHEMBL19974956 0.63 ADH1C (0.50) HPGDEPHX1TSHRSMN1; SMN2NPC1

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-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed