SCHEMBL8466609

SCHEMBL8466609

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
FAAH O00519 4/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.41
NOD1 Q9Y239 2/20 0.39
DNM1 Q05193 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL18742136 0.85 FAAH (0.62) KMT2AFAAHMEN1MAPK1POLB
SCHEMBL18742133 0.85 FAAH (0.62) KMT2AFAAHMEN1MAPK1POLB
SCHEMBL17010250 0.85 FAAH (0.62) KMT2AFAAHMEN1MAPK1POLB
SCHEMBL3271592 0.85 FAAH (0.62) KMT2AFAAHMEN1MAPK1POLB
SCHEMBL3271401 0.85 FAAH (0.62) KMT2AFAAHMEN1MAPK1POLB
SCHEMBL7154001 0.85 FAAH (0.62) KMT2AFAAHMEN1MAPK1POLB
SCHEMBL16474 0.83 FAAH (0.59) KMT2AFAAHMEN1MAPK1POLB
SCHEMBL8478492 0.82 KMT2A (0.46) KMT2AFAAHMEN1MAPK1ALDH1A1
SCHEMBL8478495 0.82 KMT2A (0.46) KMT2AFAAHMEN1MAPK1ALDH1A1
SCHEMBL8467106 0.82 FAAH (0.56) KMT2AFAAHMEN1MAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981580-A IN WHICH THE CARBOXY-TERMINUS HAS BEEN MODIFIED TO FORM VARIOUS AMIDES, ESTERS, KETONES, ALCOHOLS, ALCOHOL ESTERS AND NITRITES THEREOF, AND ARE USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME G. D. SEARLE & CO. (US) 1999-11-09 US disclosed
WO-1999050229-A1 FATTY ACID ANALOGS AND PRODRUGS G.D. SEARLE & CO. (US) 1999-10-07 WO disclosed