SCHEMBL9526528

SCHEMBL9526528

COC(=O)Oc1ccc(C2CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.41
KDM1A O60341 1/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAOB P27338 1/20 0.36
BACE1 P56817 1/20 0.36
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 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
SCHEMBL4865869 0.82 LMNA (0.52) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL676909 0.79 KMT2A (0.58) MMP2MMP9MMP14KMT2AMEN1
SCHEMBL9906002 0.78 LMNA (0.54) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6481644 0.75 SLC6A2 (0.51) KDM1ATSHRMAPTALDH1A1NPC1
SCHEMBL937164 0.75 SLC6A2 (0.51) KDM1ATSHRMAPTALDH1A1NPC1
SCHEMBL2792782 0.75 NPC1 (0.59) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL14774960 0.75 SMN1; SMN2 (0.50) MMP2MMP9MMP14KMT2AMEN1
SCHEMBL9905996 0.73 PRSS1 (0.44) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL14097750 0.73 PRSS1 (0.44) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL13515619 0.73 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386451-B1 OXYGEN-BEARING DIPHENYL HETEROALKANES, PROCESS FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1993-04-28 EP disclosed
EP-0386451-A1 Oxygen-bearing diphenyl heteroalkanes, process for their preparation and use BASF Aktiengesellschaft (DE) 1990-09-12 EP disclosed