SCHEMBL8624949

SCHEMBL8624949

CCOC(=O)/C=C(/C)NCc1ccccc1C(=O)O.[KH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
GALK1 P51570 1/20 0.39
CCR6 P51684 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL7528187 0.81 MAPT (0.62) MAPTKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL6734945 0.81 MAPT (0.62) MAPTKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL7539272 0.79 HTT (0.54) HTTKDM4EALDH1A1HPGDTSHR
Potassium Ion SCHEMBL11635044 0.79 MAPT (0.39) HTTMAPTKDM4EALDH1A1LMNA
SCHEMBL7541780 0.77 HTT (0.51) HTTMAPTKDM4EALDH1A1HPGD
SCHEMBL9848860 0.74 HTT (0.57) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL14279606 0.73 KCNA5 (0.49) HTTMAPTALDH1A1LMNAHPGD
SCHEMBL4856909 0.73 KCNA5 (0.49) HTTMAPTALDH1A1LMNAHPGD
SCHEMBL11720041 0.72 MAPT (0.48) HTTMAPTKDM4EALDH1A1LMNA
SCHEMBL11720022 0.72 MAPT (0.48) HTTMAPTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547646-B1 Crystalline form of a cephalosporin antibiotic OPOS BIOCHIMICA SRL (IT) 1998-06-03 EP disclosed
US-5693790-A FORMED BY TREATING CEFACLOR WITH MINERAL OR ORGANIC ACID IN MIXTURE OF WATER AND ALCOHOL BIOCHIMICA OPOS SPA (IT) 1997-12-02 US disclosed
US-5589593-A CRYSTALLIZATION OF CEFACLOR AND FORMATION OF THE HYDRATE, STABILITY BIOCHIMICA OPOS SPA (IT) 1996-12-31 US disclosed
EP-0547646-A2 Crystalline form of a cephalosporin antibiotic BIOCHIMICA OPOS SPA (IT) 1993-06-23 EP disclosed