SCHEMBL11029370

SCHEMBL11029370

CC(C)COCC(N)COCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL913495 0.86 ANPEP (0.46) ALDH1A1TSHRMAPK1ANPEPERAP2
SCHEMBL5862306 0.86 ANPEP (0.46) ALDH1A1TSHRMAPK1ANPEPERAP2
SCHEMBL24856 0.83
SCHEMBL12328671 0.81
SCHEMBL15374712 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL15400759 0.79 ALDH1A1 (0.40) ALDH1A1TSHR
Phosphine SCHEMBL21380516 0.79 ALDH1A1 (0.40) ALDH1A1TSHR
Water SCHEMBL20597605 0.79 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL6577079 0.79 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL10703282 0.79 ALDH1A1 (0.40) ALDH1A1TSHR

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-RE31587-E Process for the preparation of 3-iminomethyl derivatives of rifamycin SV ARCHIFAR LABORATORI CHIMICO FARMACOLOGICI S.P.A. (IT) 1984-05-22 US disclosed
US-3963705-A Process for the preparation of 3-iminomethyl derivatives of rifamycin SV ARCHIFAR INDUSTRIE CHIMICHE DEL TRENTINO S.P.A. (IT) 1976-06-15 US disclosed