SCHEMBL9856902

SCHEMBL9856902

CCCCOC(=O)CC(CC)OCCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
DGKA P23743 1/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.39
FAAH O00519 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
ESR1 P03372 1/20 0.37
HTR2C P28335 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9620490 0.95 NAAA (0.46) NAAAALDH1A1ATMNPSR1L3MBTL1
SCHEMBL9744401 0.91 NAAA (0.52) NAAAALDH1A1ATMNPSR1L3MBTL1
SCHEMBL9854213 0.91 NAAA (0.35) NAAAALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL9745575 0.89 NAAA (0.53) NAAANPSR1L3MBTL1MAPTMAPK1
SCHEMBL9743211 0.88 NAAA (0.47) NAAAALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL27998329 0.84 NAAA (0.46) NAAAALDH1A1ATMNPSR1L3MBTL1
SCHEMBL3693783 0.83 NAAA (0.38) NAAAALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL9743443 0.81 NAAA (0.43) NAAAALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL9744415 0.81 NAAA (0.52) NAAAALDH1A1ATMNPSR1L3MBTL1
SCHEMBL1879488 0.79 NAAA (0.48) NAAAALDH1A1ATMNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269043-B1 PROCESS FOR PREPARING 3 PENTENOIC ACID ESTERS FROM 2-PENTENOIC ACID ESTERS BASF Aktiengesellschaft (DE) 1991-08-21 EP disclosed
US-4845269-A Preparation of 3-pentenoates from 2-pentenoates BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0269043-A2 Process for preparing 3 pentenoic acid esters from 2-pentenoic acid esters BASF Aktiengesellschaft (DE) 1988-06-01 EP disclosed