SCHEMBL7029313

SCHEMBL7029313

CCCCCCC(CCCCCCCCCCC(=O)O)N(C)C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O.CCCCCCCCCCCCCCC(NC(=O)CCCCCCCCCCC(CCCCCC)N(C)C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ ATM Q13315 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ USP2 O75604 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ SLC16A3 O15427 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ SLC16A1 P53985 1/20 0.48
▸ MAOB P27338 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL411971 0.92 ALDH1A1 (0.57) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL8562232 0.91 ALDH1A1 (0.52) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL7167329 0.83 ALDH1A1 (0.50) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL16573482 0.83 ALDH1A1 (0.52) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL8707677 0.77 ALDH1A1 (0.55) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL30158125 0.77 ALDH1A1 (0.55) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL21615668 0.73 KMT2A (0.60) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL17368890 0.71 MAOB (0.71) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL21806091 0.70 ALDH1A1 (0.52) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL19506116 0.69 NOD1 (0.79) ALDH1A1NOD1

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
EP-0740528-B1 GAS MICROSPHERES FOR TOPICAL AND SUBCUTANEOUS APPLICATION IMARX THERAPEUTICS INC (US) 2003-03-26 — — EP claimed
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