SCHEMBL7316241

SCHEMBL7316241

O=C(N[C@@H](Cc1ccc(C(=O)O)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.54
TP53 P04637 3/20 0.54
CASP3 P42574 2/20 0.49
TLR2 O60603 2/20 0.47
MDM2 Q00987 4/20 0.47
KMT2A Q03164 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL3728812 0.97 MDM4 (0.54) MDM4TP53CASP3TLR2MDM2
SCHEMBL3728815 0.97 MDM4 (0.54) MDM4TP53CASP3TLR2MDM2
SCHEMBL28346547 0.94 MDM4 (0.49) MDM4TP53CASP3TLR2MDM2
SCHEMBL28346546 0.94 MDM4 (0.49) MDM4TP53CASP3TLR2MDM2
SCHEMBL119699 0.92 MDM4 (0.53) MDM4TP53CASP3TLR2MDM2
SCHEMBL29398558 0.92 MDM4 (0.53) MDM4TP53CASP3TLR2MDM2
SCHEMBL119472 0.92 MDM4 (0.53) MDM4TP53CASP3TLR2MDM2
SCHEMBL10622470 0.92 MDM4 (0.53) MDM4TP53CASP3TLR2MDM2
SCHEMBL29402444 0.92 MDM4 (0.53) MDM4TP53CASP3TLR2MDM2
SCHEMBL1228254 0.92 MDM4 (0.59) MDM4TP53CASP3MDM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
US-6403584-B1 CONJUNCTIVITIS, ALLERGIC RHINITIS, ALZHEIMER'S DISEASE, ASTHMA, ATHEROSCLEROSIS, AUTOLOGOUS BONE MARROW TRANSPLANTATION, ANTIINFLAMMATORY, ETC MERCK & CO., INC. 2002-06-11 US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO disclosed