SCHEMBL8403770

SCHEMBL8403770

O=C(Cc1ccccc1)NC(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ POLB P06746 1/20 0.56
▸ RAB9A P51151 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL7414475 0.89 KDM4E (0.60) L3MBTL1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL7414197 0.87 SIGMAR1 (0.50) L3MBTL1POLBNPSR1MEN1KMT2A
SCHEMBL7412504 0.83 GAA (0.57) L3MBTL1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL8066357 0.82 GAA (0.59) L3MBTL1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL7309037 0.80 L3MBTL1 (1.00) L3MBTL1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL7412108 0.79 POLB (0.55) L3MBTL1POLBMEN1KMT2ASIGMAR1
SCHEMBL7303045 0.79 NPSR1 (0.81) L3MBTL1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL8188060 0.78 KMT2A (0.47) L3MBTL1POLBMEN1KMT2ASIGMAR1
SCHEMBL8329590 0.77 FAAH (0.49) MEN1KMT2ASIGMAR1ALDH1A1FAAH
SCHEMBL7313251 0.74 KDM4E (0.77) POLBRAB9ANPC1SMN1; SMN2ALDH1A1

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-5936065-A PRODRUG AS ANTIINFLAMMATORY AGENT FOR AUTOIMMUNE DISEASES; FOR SUPPRESSING BINDING OF INFLAMMATORY CELLS TO ENDOTHELIAL CELLS THAT EXPRESS THE CS-1 PORTION OF FIBRONECTIN ON THEIR SURFACES CYTEL CORPORATION (US) 1999-08-10 — — US disclosed
US-5821231-A TREATMENT OF IMMUNOINFLAMMATORY CONDITIONS CYTEL CORPORATION (US) 1998-10-13 — — US disclosed
US-5770573-A CS-1 peptidomimetics, compositions and methods of using the same CYTEL CORPORATION (US) 1998-06-23 — — US disclosed
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