SCHEMBL1129080

SCHEMBL1129080

NCC1CCC(C(=O)OC(=O)C2CCC(CNC(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
TPSAB1 Q15661 3/20 0.48
TPSD1 Q9BZJ3 3/20 0.48
TPSG1 Q9NRR2 3/20 0.48
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
TNK2 Q07912 1/20 0.43

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
SCHEMBL13667153 0.93 TPSAB1 (0.54) TSHRALDH1A1GAATPSAB1TPSD1
SCHEMBL13668665 0.93 TPSAB1 (0.54) TSHRALDH1A1GAATPSAB1TPSD1
Tranexamic Acid SCHEMBL1129079 0.92 ALDH1A1 (0.60) TSHRALDH1A1GAATPSAB1TPSD1
SCHEMBL6350370 0.86 ALDH1A1 (0.52) TSHRALDH1A1GAAF13A1TGM2
SCHEMBL8393648 0.86 LMNA (0.58) TSHRALDH1A1GAATPSAB1TPSD1
SCHEMBL7418209 0.85 TSHR (0.68) TSHRALDH1A1GAATPSAB1TPSD1
SCHEMBL594858 0.85 ALDH1A1 (0.67) TSHRALDH1A1GAATPSAB1TPSD1
SCHEMBL594857 0.85 ALDH1A1 (0.67) TSHRALDH1A1GAATPSAB1TPSD1
SCHEMBL7403759 0.84 MEN1 (0.54) TSHRALDH1A1GAAF13A1TGM2
SCHEMBL7403761 0.84 MEN1 (0.54) TSHRALDH1A1GAAF13A1TGM2

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
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed