SCHEMBL9717438

SCHEMBL9717438

NCC(C1CCCCC1)C(CN)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.62
TP53 P04637 1/20 0.56
SHBG P04278 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GMNN O75496 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL21725621 0.85 EPHX1 (0.52) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL23436213 0.85 EPHX1 (0.52) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL20663914 0.81 EPHX1 (0.48) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL629725 0.81 EPHX1 (0.48) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL22400211 0.79 SHBG (0.58) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL904038 0.78 EPHX1 (0.56) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL4379254 0.77 EPHX1 (0.62) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL635367 0.77 EPHX1 (1.00) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL21656667 0.74 EPHX1 (0.59) EPHX1TP53SHBGKDM4EGMNN
SCHEMBL23082587 0.74

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-0338386-B1 NEW METHOD OF PREPARATION OF OXALIC ACID ESTERS AND AMIDES Enichem Anic S.r.l. (IT) 1992-09-02 EP disclosed
US-4981963-A Method of preparation of oxalic acid esters and amides ENICHEM ANIC S.P.A. (IT) 1991-01-01 US disclosed
EP-0338386-A1 New method of preparation of oxalic acid esters and amides Enichem Anic S.r.l. (IT) 1989-10-25 EP disclosed