SCHEMBL9620770

SCHEMBL9620770

CC=CCC(=O)OCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.60
DGKA P23743 1/20 0.55
HTR2C P28335 1/20 0.53
RAD52 P43351 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
FAAH O00519 2/20 0.50
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
HCAR2 Q8TDS4 2/20 0.47
EPHX1 P07099 1/20 0.47
DNM1 Q05193 1/20 0.46
TSHR P16473 3/20 0.46
MGLL Q99685 1/20 0.44

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
SCHEMBL10702767 1.00 NAAA (0.60) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL10580124 1.00 NAAA (0.60) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL9180453 1.00 NAAA (0.60) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL10544957 0.92 ATM (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL8197678 0.92 ATM (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL6346158 0.90 NAAA (0.67) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL6344659 0.90 NAAA (0.67) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL6345681 0.90 NAAA (0.67) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL6344669 0.90 NAAA (0.67) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL10404937 0.90 NAAA (0.67) NAAADGKAHTR2CRAD52NPSR1

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
EP-0269045-B1 PROCESS FOR PREPARING ETHERIFED 3-HYDROXY VALERIC ACID ESTERS BASF Aktiengesellschaft (DE) 1992-01-02 EP disclosed
EP-0269042-B1 PROCESS FOR PREPARING 2 PROPENYLIDENE-3 ETHYL GLUTARIC ACID DIESTERS BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
US-4791219-A Preparation of etherified 3-hydroxyvalerates BASF AKTIENGESELLSCHAFT (DE) 1988-12-13 US disclosed
EP-0269042-A2 Process for preparing 2 propenylidene-3 ethyl glutaric acid diesters BASF Aktiengesellschaft (DE) 1988-06-01 EP disclosed
EP-0269045-A2 Process for preparing etherifed 3-hydroxy valeric acid esters BASF Aktiengesellschaft (DE) 1988-06-01 EP disclosed