SCHEMBL8083072

SCHEMBL8083072

O=C(NC1CCCCC1)OC1CCC(OC(=O)NC2CCCCC2)CC1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.92
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
EPHX2 P34913 1/20 0.54
BCHE P06276 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL1824180 0.96 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL11296228 0.96 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL22669919 0.96 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20528277 0.96 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20528278 0.96 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24067211 0.96 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19729051 0.94 EPHX1 (0.96) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24067253 0.94 EPHX1 (0.96) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL18650000 0.94 EPHX1 (0.96) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20365873 0.94 EPHX1 (0.96) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557721-B1 Polypropylene moulded articles with increased -crystal content and bisamides as -nucleating agents. NEW JAPAN CHEM CO LTD (JP) 2000-10-04 EP claimed