SCHEMBL7375437

SCHEMBL7375437

COC(=O)[C@H](Cc1ccccc1)NNC(=O)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
F10 P00742 1/20 0.47
YAP1 P46937 2/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 3/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL7367468 0.91 L3MBTL1 (0.48) LMNATDP1F10POLBL3MBTL1
SCHEMBL13033926 0.88 LMNA (0.56) GAALMNATDP1ATMALDH1A1
SCHEMBL7836030 0.88 LMNA (0.55) LMNATDP1F10ALDH1A1POLB
SCHEMBL7365216 0.88 LMNA (0.55) LMNATDP1F10ALDH1A1POLB
SCHEMBL23221679 0.78 LMNA (0.66) GAALMNATDP1ATMALDH1A1
SCHEMBL23221677 0.78 LMNA (0.66) GAALMNATDP1ATMALDH1A1
SCHEMBL2633261 0.77 LMNA (0.68) LMNATDP1ATMALDH1A1POLB
SCHEMBL14527603 0.77 CAPN1 (0.54) LMNAALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9208207 0.76 ATM (0.57) GAALMNAATMALDH1A1THRB
SCHEMBL23221689 0.76 PSMB5 (0.60) GAALMNATDP1ATMALDH1A1

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-1001974-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO disclosed