SCHEMBL9408501

SCHEMBL9408501

O=C(NC[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)OCc3ccccc3)CC2)CC1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.48
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 3/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7403759 0.88 MEN1 (0.54) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL7403761 0.88 MEN1 (0.54) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL6350370 0.88 ALDH1A1 (0.52) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL8393648 0.87 LMNA (0.58) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL594857 0.86 ALDH1A1 (0.67) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL594858 0.86 ALDH1A1 (0.67) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL6475959 0.86 HTT (0.48) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL5473626 0.85 TGM2 (0.53) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL5473623 0.85 TGM2 (0.53) ALDH1A1GAATSHRF13A1TGM2
SCHEMBL4654803 0.85 ALDH1A1 (0.65) ALDH1A1GAATSHRF13A1TGM2

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-0604667-A1 TRANEXAMIC ACID DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME SHISEIDO COMPANY LIMITED (JP) 1994-07-06 EP disclosed