SCHEMBL21065281

SCHEMBL21065281

C=CCc1ccc(C(=O)O)c(NC(=O)OC(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.38
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
ATR Q13535 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP2C19 P33261 1/20 0.32
HCAR3 P49019 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL28652076 0.90 PRMT1 (0.39) PRMT1MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL28657004 0.80 PRMT1 (0.40) PRMT1MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7760598 0.72 TSHR (0.51) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL7766271 0.72 TSHR (0.51) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL27561962 0.71 MAPT (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL8651106 0.71 ATR (0.47) MAPTMEN1ALDH1A1KMT2AATR
SCHEMBL27637022 0.69 CA12 (0.40) PRMT1MAPTMEN1KMT2AMMP1
SCHEMBL30290973 0.68 KCNA5 (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3576370 0.67 ALDH1A1 (0.46) PRMT1MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7196335 0.67 MAPT (0.51) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A

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-3083582-B1 A NEW PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL FARMA GRS D O O (SI) 2019-06-26 EP claimed