SCHEMBL9640657

SCHEMBL9640657

COC(=O)Oc1ccc(C(OC)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ELANE P08246 2/20 0.42
HPGD P15428 2/20 0.41
XBP1 P17861 1/20 0.41
ESR1 P03372 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACACB O00763 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL676909 0.85 KMT2A (0.58) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL9641028 0.84 LMNA (0.55) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL8781783 0.84 ELANE (0.60) KMT2AMEN1LMNAMAPTELANE
SCHEMBL28280156 0.82 KMT2A (0.44) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL15243078 0.82 SMN1; SMN2 (0.57) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL9641430 0.81 ELANE (0.59) LMNAALDH1A1ELANEHPGDXBP1
SCHEMBL17864858 0.81 ACR (0.51) KMT2ALMNAALDH1A1HSD17B10MAPT
SCHEMBL8782055 0.80 FAAH (0.44) LMNAELANEHPGDESR1HIF1A
SCHEMBL11208401 0.79 RAB9A (0.68) KMT2AMEN1LMNAALDH1A1RAB9A
SCHEMBL9641949 0.79 ELANE (0.69) LMNAALDH1A1ELANEHIF1ANPSR1

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-0292889-B1 BENZALDEHYDE DERIVATIVES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1992-09-02 EP claimed
EP-0292889-A2 Benzaldehyde derivatives, their preparation and use BASF Aktiengesellschaft (DE) 1988-11-30 EP claimed
EP-0292889-B1 BENZALDEHYDE DERIVATIVES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1992-09-02 EP disclosed
EP-0292889-A2 Benzaldehyde derivatives, their preparation and use BASF Aktiengesellschaft (DE) 1988-11-30 EP disclosed