SCHEMBL9796641

SCHEMBL9796641

CCOC(=O)CC(C)(C)/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.49
HSD11B1 P28845 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
DHFR P00374 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL9796645 1.00 MEN1 (0.49) MEN1KMT2ACYP2C19HSD11B1CTDSP1
SCHEMBL312597 0.88 CTDSP1 (0.51) MEN1KMT2ACYP2C19HSD11B1CTDSP1
SCHEMBL312599 0.88 CTDSP1 (0.51) MEN1KMT2ACYP2C19HSD11B1CTDSP1
SCHEMBL314150 0.81 SMN1; SMN2 (0.49) MEN1KMT2ACYP2C19HSD11B1CTDSP1
SCHEMBL9796725 0.81 PPID (0.46) MEN1KMT2ACYP2C19HSD11B1ALDH1A1
SCHEMBL314148 0.81 SMN1; SMN2 (0.49) MEN1KMT2ACYP2C19HSD11B1CTDSP1
SCHEMBL9796731 0.81 PPID (0.46) MEN1KMT2ACYP2C19HSD11B1ALDH1A1
SCHEMBL9796877 0.81 MAPT (0.50) MEN1KMT2AHSD11B1ALDH1A1HPGD
SCHEMBL9796872 0.81 MAPT (0.50) MEN1KMT2AHSD11B1ALDH1A1HPGD
SCHEMBL20346330 0.79 MEN1 (0.50) MEN1KMT2ACYP2C19CTDSP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999451-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-03-12 US disclosed
US-4833266-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-05-23 US disclosed
US-4681953-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-07-21 US disclosed
US-4454343-A Intermediates in a process for preparing dihalovinylcyclopropanecarboxylates FMC CORPORATION (US) 1984-06-12 US disclosed
US-4214097-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-07-22 US disclosed