SCHEMBL9622591

SCHEMBL9622591

CC(C)C[C@H](NC(=O)C(CC1CCCCC1)CC(CC1CCCCC1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
REN P00797 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
CPB2 Q96IY4 4/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
MME P08473 3/20 0.43

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
SCHEMBL9622584 1.00 LTA4H (0.52) LTA4HALDH1A1MEN1LMNAKMT2A
SCHEMBL8773913 0.82 LTA4H (0.49) LTA4HKMT2AFNTAFNTBPGGT1B
SCHEMBL11407261 0.80 METAP2 (0.51) ALDH1A1MEN1LMNAKMT2AREN
SCHEMBL7361186 0.80 METAP2 (0.51) ALDH1A1MEN1LMNAKMT2AREN
SCHEMBL11407267 0.80 METAP2 (0.51) ALDH1A1MEN1LMNAKMT2AREN
SCHEMBL9067212 0.79 LTA4H (0.47) LTA4HALDH1A1KMT2AFNTAFNTB
Hydrochloric Acid SCHEMBL7508388 0.79 METAP2 (0.50) ALDH1A1MEN1LMNAKMT2AREN
SCHEMBL3165087 0.78 CPB2 (0.50) LTA4HFNTAFNTBPGGT1BREN
SCHEMBL31433203 0.77 CPB2 (0.47) LTA4HALDH1A1MEN1LMNAKMT2A
SCHEMBL4313039 0.77 ALDH1A1 (0.51) LTA4HALDH1A1MEN1LMNAKMT2A

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
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP disclosed