SCHEMBL10400355

SCHEMBL10400355

C=C(Cl)C(=O)NCCCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.48
ACHE P22303 8/20 0.45
MMP2 P08253 2/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
EPHX2 P34913 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G4A P47712 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL10400685 0.92 EPHX1 (0.57) EPHX1ZDHHC20ZDHHC2EPHX2PLA2G2A
SCHEMBL10400351 0.92 EPHX1 (0.57) EPHX1ZDHHC20ZDHHC2EPHX2PLA2G2A
SCHEMBL1104669 0.86
SCHEMBL6129741 0.81 EPHX1 (0.61) EPHX1ACHEMMP2EPHX2PLA2G2A
SCHEMBL28301948 0.80 EPHX1 (0.50) EPHX1ACHEMMP2ZDHHC20ZDHHC2
SCHEMBL27247 0.80 ACHE (0.52) EPHX1ACHEMMP2ZDHHC20ZDHHC2
Hydrochloric Acid SCHEMBL15846376 0.78 ACHE (0.50) EPHX1ACHEMMP2ZDHHC20ZDHHC2
SCHEMBL27834646 0.78 ACHE (0.50) EPHX1ACHEMMP2ZDHHC20ZDHHC2
SCHEMBL11524825 0.78 EPHX1 (0.48) EPHX1ACHEMMP2ZDHHC20ZDHHC2
Ammonia Solution, Strong SCHEMBL11669840 0.78 ACHE (0.50) EPHX1ACHEMMP2ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935527-A SEPARATION FROM IMPURITIES BY ION EXCHANGING ON A CATIONIC EXCHANGER BED RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1990-06-19 US disclosed
EP-0191462-A1 Purification of aziridine-2-carboxylic acid salts RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1986-08-20 EP disclosed