SCHEMBL9797015

SCHEMBL9797015

C=CC(C)(CC(=O)OCC)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
FKBP1A P62942 2/20 0.32

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
SCHEMBL4483196 0.80 KMT2A (0.37) ALDH1A1NPSR1KMT2ATHRBATM
SCHEMBL6483909 0.79 KMT2A (0.41) ALDH1A1NPSR1KMT2ATHRBATM
SCHEMBL11094400 0.78 KMT2A (0.40) ALDH1A1KMT2ATHRBATML3MBTL1
SCHEMBL28100711 0.76 KMT2A (0.39) ALDH1A1KMT2ATHRBATML3MBTL1
SCHEMBL3649459 0.76 KMT2A (0.39) ALDH1A1KMT2ATHRBATML3MBTL1
SCHEMBL7608083 0.76 KMT2A (0.41) ALDH1A1KMT2ATHRBATML3MBTL1
SCHEMBL15876257 0.75 KMT2A (0.42) ALDH1A1NPSR1KMT2ATHRBATM
SCHEMBL901251 0.73 KMT2A (0.39) ALDH1A1NPSR1KMT2ATHRBATM
SCHEMBL27863456 0.73 KMT2A (0.39) ALDH1A1KMT2ATHRBATML3MBTL1
SCHEMBL9796944 0.71 GAA (0.44) ALDH1A1GAAMGAMSIMGAM2

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