SCHEMBL7196323

SCHEMBL7196323

CCOC(=O)[C@@H]1CC(F)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.65
KMT2A Q03164 5/20 0.65
LMNA P02545 2/20 0.65
GAA P10253 2/20 0.53
TSHR P16473 2/20 0.53
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 1/20 0.46
ANPEP P15144 1/20 0.46
FKBP1A P62942 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 2/20 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
SCHEMBL7069016 1.00 ALDH1A1 (0.65) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL9685695 0.86 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL7070247 0.86 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL7070248 0.86 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL7072637 0.83 POLB (0.56) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL7072634 0.83 POLB (0.56) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL2391096 0.82 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL1568318 0.82 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL1571210 0.82 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAGAATSHR
SCHEMBL9685718 0.82 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAGAATSHR

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
US-6586602-B2 CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-07-01 US disclosed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US disclosed