SCHEMBL7379537

SCHEMBL7379537

CCOC(=O)C[C@@H](Nc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ GAA P10253 4/20 0.47
▸ MAPT P10636 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ PPID Q08752 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ DHODH Q02127 1/20 0.41

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
SCHEMBL3939343 0.84 ALDH1A1 (0.50) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL9068379 0.83 NPSR1 (0.49) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL11020359 0.83 GAA (0.53) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL11017995 0.81 ALDH1A1 (0.48) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL4408344 0.81 ALDH1A1 (0.48) ALDH1A1TSHRGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL27898270 0.80 LMNA (0.46) ALDH1A1TSHRGAAMAPTLMNA
SCHEMBL28242825 0.80 ALDH1A1 (0.47) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL8121589 0.80 ALDH1A1 (0.47) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL38122 0.80 PPARA (0.42) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL38121 0.80 PPARA (0.42) ALDH1A1TSHRGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922054-B1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2002-08-14 — — EP disclosed
US-6235707-B1 Anticoagulant peptidyl-arginine aldehyde derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2001-05-22 — — US disclosed
EP-0922054-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET KFT. (HU) 1999-06-16 — — EP disclosed
WO-1997046576-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES Gyógyszerkutató Intézet Kft. (HU) 1997-12-11 — — WO disclosed
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