SCHEMBL9796985

SCHEMBL9796985

C=CC(CC(=O)OCC)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD11B1 P28845 1/20 0.45
PPID Q08752 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.40
PIN1 Q13526 1/20 0.40
MAPT P10636 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL4619371 0.80 SMN1; SMN2 (0.54) SMN1; SMN2POLBMEN1KMT2AHSD11B1
SCHEMBL312831 0.79 SMN1; SMN2 (0.47) SMN1; SMN2POLBMEN1KMT2AHSD11B1
SCHEMBL312832 0.79 SMN1; SMN2 (0.47) SMN1; SMN2POLBMEN1KMT2AHSD11B1
SCHEMBL313012 0.79 POLB (0.55) SMN1; SMN2POLBMEN1KMT2AHSD11B1
SCHEMBL5972813 0.78 SMN1; SMN2 (0.51) SMN1; SMN2POLBMEN1KMT2AHSD11B1
SCHEMBL10906532 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBMEN1KMT2AHSD11B1
SCHEMBL4793126 0.78 CYP2C19 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1NPSR1
SCHEMBL314150 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBMEN1KMT2AHSD11B1
SCHEMBL10284966 0.78 SMN1; SMN2 (0.46) SMN1; SMN2POLBMEN1KMT2AHSD11B1
SCHEMBL314148 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBMEN1KMT2AHSD11B1

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