SCHEMBL8788464

SCHEMBL8788464

C=CCOC(=O)c1ccc(OCC=C)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.47
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL8788640 0.90 AR (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5095274 0.88 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL7639896 0.88 ALDH1A1 (0.54) PRSS1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7641951 0.86 HCAR3 (0.56) PRSS1ALDH1A1LMNAKDM4ETDP1
SCHEMBL753770 0.84 KMT2A (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2705489 0.84 CYP3A4 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5109046 0.83 VCAM1 (0.57) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5102190 0.83 TSHR (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2978481 0.83 THRB (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL8114079 0.82 LMNA (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508682-B1 Antibiotic carbapenem derivatives ZENECA LTD (GB) 1997-07-23 EP disclosed
US-5541178-A THIENAMYCINS ZENECA LIMITED (GB) 1996-07-30 US disclosed
CN-1066657-A Antimicrobial compounds ICI PLC (GB) 1992-12-02 CN disclosed
WO-1992017481-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed
EP-0508682-A1 Antibiotic carbapenem derivatives ZENECA LIMITED (GB) 1992-10-14 EP disclosed