SCHEMBL4045628

SCHEMBL4045628

CCC(O)COc1ccc(Oc2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
LPAR1 Q92633 5/20 0.43
LPAR5 Q9H1C0 5/20 0.43
FAAH O00519 2/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRB3 P13945 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4045310 0.86 LMNA (0.59) PARP10KDM4EALDH1A1KMT2ALPAR1
SCHEMBL4049993 0.82 TSHR (0.51) KMT2AMAPTSMN1; SMN2LMNAPOLB
SCHEMBL1496637 0.82 LTA4H (0.58) KDM4EMAPTHTTSMN1; SMN2LMNA
SCHEMBL10700083 0.80 TSHR (0.55) KMT2AMAPTSMN1; SMN2LMNAPOLB
SCHEMBL29620677 0.80 MAPT (0.57) KDM4EALDH1A1KMT2AMAPTHTT
SCHEMBL166337 0.78 LMNA (0.64) KDM4EALDH1A1KMT2AMAPTHTT
SCHEMBL11551986 0.77 PARP10 (0.43) PARP10LPAR1LPAR5FAAH
SCHEMBL6293051 0.76 PARP10 (0.66) PARP10ALDH1A1KMT2ALPAR1LPAR5
SCHEMBL21393252 0.76 POLB (0.53) KDM4EALDH1A1KMT2AMAPTHTT
SCHEMBL13527950 0.76 LTA4H (0.61) KMT2AMAPTLMNAADRB2ADRB1

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-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 EP disclosed