SCHEMBL9561546

SCHEMBL9561546

CCCCCCCCCCCC(=O)CC(N)C(N)(C(=O)O)C(=O)CCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ FAAH O00519 8/20 0.42
▸ CES1 P23141 5/20 0.42
▸ CES2 O00748 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.40
▸ PPARG P37231 6/20 0.39
▸ PPARD Q03181 6/20 0.39
▸ PPARA Q07869 6/20 0.39
▸ HDAC11 Q96DB2 5/20 0.39
▸ TSHR P16473 4/20 0.39
▸ GPR84 Q9NQS5 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ FABP4 P15090 2/20 0.39
▸ PTPN1 P18031 2/20 0.39

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
SCHEMBL27887971 0.79 FAAH (0.48) KMT2AFAAHCES1CES2MEN1
SCHEMBL6016882 0.78 FAAH (0.44) KMT2AFAAHCES1CES2MEN1
SCHEMBL6016888 0.76 FAAH (0.48) KMT2AFAAHCES1CES2MEN1
SCHEMBL10380718 0.72 FAAH (0.48) KMT2AFAAHCES1CES2MEN1
SCHEMBL23581967 0.72 GRIK1 (0.56) KMT2AMAPTMEN1HSD17B10HAO1
SCHEMBL17203939 0.72 GRIK1 (0.56) KMT2AMAPTMEN1HSD17B10HAO1
SCHEMBL5936931 0.72 GRIK1 (0.56) KMT2AMAPTMEN1HSD17B10HAO1
SCHEMBL17204170 0.72 GRIK1 (0.56) KMT2AMAPTMEN1HSD17B10HAO1
SCHEMBL15649886 0.72 GRIK1 (0.56) KMT2AMAPTMEN1HSD17B10HAO1
SCHEMBL15649706 0.72 GRIK1 (0.56) KMT2AMAPTMEN1HSD17B10HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522152-A1 LHRH ANTAGONISTS THE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND (US) 1993-01-13 — — EP disclosed
US-5171835-A LHRH antagonists THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1992-12-15 — — US disclosed
WO-1992013883-A1 LHRH ANTAGONISTS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1992-08-20 — — WO disclosed
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