SCHEMBL6240988

SCHEMBL6240988

CCOC(=O)[C@H](Cc1c[nH]cn1)NCc1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ITGA4 P13612 6/20 0.36
▸ ITGB7 P26010 6/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ MMP2 P08253 1/20 0.34

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
SCHEMBL6239442 0.86 POLB (0.41) POLBMAPK1ITGA4ITGB7HIF1A
SCHEMBL2229634 0.86 POLB (0.41) POLBMAPK1ITGA4ITGB7HIF1A
SCHEMBL26991038 0.80 POLB (0.57) POLBMAPK1MAPTLMNAHIF1A
SCHEMBL6234635 0.78 POLB (0.58) POLBMAPK1TP53ITGA4ITGB7
SCHEMBL7345574 0.78 KDM4E (0.43) POLBTP53LMNAPDCD1CD274
SCHEMBL6238689 0.78 PDCD1 (0.44) POLBMAPK1MAPTITGA4ITGB7
SCHEMBL3337001 0.78 SMN1; SMN2 (0.35) MAPTTP53LMNATHRBCYP1A2
SCHEMBL19123170 0.78 SMN1; SMN2 (0.35) MAPTTP53LMNATHRBCYP1A2
SCHEMBL13246853 0.78 SMN1; SMN2 (0.35) MAPTTP53LMNATHRBCYP1A2
SCHEMBL6240992 0.78 ITGB2 (0.46) CYP1A2PDCD1CD274SIRT2

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-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 — — EP claimed
EP-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 — — EP disclosed
US-6552061-B1 For therapy and prophylaxis of inflammatory skin injuries or diseases AJINOMOTO CO., INC. (JP) 2003-04-22 — — US disclosed
EP-0955046-A2 Amino acid derivatives and anti-inflammatory agents Ajinomoto Co., Inc. (JP) 1999-11-10 — — EP disclosed
Send feedback