SCHEMBL8464873

SCHEMBL8464873

COC(=O)C(C=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
TSHR P16473 1/20 0.38
ACP3 P15309 1/20 0.37
CTSA P10619 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
DHODH Q02127 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL2559963 0.83 CYP2C19 (0.47) KMT2AALDH1A1HTTMEN1
SCHEMBL30913239 0.83 CYP2C19 (0.47) KMT2AALDH1A1HTTMEN1
SCHEMBL20749064 0.79 KMT2A (0.42) KMT2AESR1ALDH1A1HTTNPSR1
SCHEMBL6017451 0.78 KMT2A (0.47) KMT2AESR1ALDH1A1HTTNPSR1
SCHEMBL9666399 0.77 KMT2A (0.46) KMT2AESR1ALDH1A1HTTNPSR1
SCHEMBL2596959 0.77 KMT2A (0.66) KMT2AALDH1A1MEN1TSHR
SCHEMBL9666407 0.77 KMT2A (0.46) KMT2AESR1ALDH1A1HTTNPSR1
SCHEMBL11048100 0.76 ALDH1A1 (0.68) KMT2AALDH1A1NPSR1TSHRGAA
SCHEMBL16808430 0.75 KMT2A (0.44) KMT2AESR1ALDH1A1HTTNPSR1
SCHEMBL15539620 0.75 KMT2A (0.44) KMT2AESR1ALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5898081-A Chemical process ZENECA LIMITED (GB) 1999-04-27 US disclosed
EP-0656880-B1 CHEMICAL PROCESS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0656880-A1 CHEMICAL PROCESS. ZENECA LTD (GB) 1995-06-14 EP disclosed
WO-1994005622-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1994-03-17 WO disclosed
US-4914128-A CONTROLLING PHYTOPATHOGENS BASF AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
US-4822908-A Substituted acrylates and fungicides containing same BASF AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4782177-A AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 1988-11-01 US disclosed
US-4723034-A Stilbene derivatives, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1988-02-02 US disclosed