SCHEMBL8478495

SCHEMBL8478495

CCOC(=O)[C@H](NC(=O)CCCCCCCCCCCOC)[C@H](C)CC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.37
NOD1 Q9Y239 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL8478492 1.00 KMT2A (0.46) KMT2AMEN1FAAHMAPK1POLB
SCHEMBL8467034 0.86 ALDH1A1 (0.47) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL8467037 0.86 ALDH1A1 (0.47) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL8468115 0.86 ALDH1A1 (0.47) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL8468116 0.86 ALDH1A1 (0.47) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL8466609 0.82 KMT2A (0.50) KMT2AMEN1FAAHMAPK1POLB
SCHEMBL12350038 0.80 FAAH (0.57) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL18796566 0.80 FAAH (0.57) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL13295483 0.80 FAAH (0.57) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL13425382 0.80 FAAH (0.57) KMT2AMEN1FAAHMAPK1ALDH1A1

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-5952377-A SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS; TREATING AIDS, LENTIVIRUSES SUCH AS THE HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed