SCHEMBL8745001

SCHEMBL8745001

O=CC1OC=C(c2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NTSR1 P30989 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL28066108 0.73 MEN1 (0.33) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL5460700 0.71 MEN1 (0.36) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL27871161 0.69 NTSR1 (0.38) MEN1KMT2APOLBSMN1; SMN2NTSR1
SCHEMBL5010303 0.69 CALM1 (0.37) LMNAALDH1A1NPSR1
SCHEMBL28066074 0.69 KMT2A (0.31) KMT2A
SCHEMBL28299486 0.69 — —
SCHEMBL21617570 0.68 MEN1 (0.55) MEN1KMT2APOLBLMNAALDH1A1
Biphenyl SCHEMBL28987013 0.65 ALDH1A1 (0.39) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL27650349 0.65 — —
SCHEMBL27668750 0.64 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537517-B1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1997-01-22 — — EP claimed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 — — EP claimed
EP-0537517-B1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1997-01-22 — — EP disclosed
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