SCHEMBL9796453

SCHEMBL9796453

C=CC1(CC(=O)OCC)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TRPA1 O75762 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL8234342 0.91 GAA (0.41) KDM4EGAAMGAMSIMGAM2
SCHEMBL6545242 0.84 KDM4E (0.41) KDM4EGAAMGAMSIMGAM2
SCHEMBL6023769 0.83 TSHR (0.40) KDM4EGAAMGAMSIMGAM2
SCHEMBL13980643 0.82 CYP3A4 (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31088807 0.82 GAA (0.40) KDM4EGAAMGAMSIMGAM2
SCHEMBL6544313 0.80 KDM4E (0.39) KDM4EGAAMGAMSIMGAM2
SCHEMBL19746316 0.79 GAA (0.38) KDM4EGAAMGAMSIMGAM2
SCHEMBL1299240 0.78 KMT2A (0.44) KDM4EGAAMGAMSIMGAM2
SCHEMBL8266120 0.78 KMT2A (0.44) KDM4EGAAMGAMSIMGAM2
SCHEMBL14559644 0.78 GAA (0.36) KDM4EGAAMGAMSIMGAM2

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