SCHEMBL8549520

SCHEMBL8549520

CCC(C)[C@H](N)C(=O)NCc1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CARM1 Q86X55 2/20 0.52
PRMT6 Q96LA8 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
ANPEP P15144 1/20 0.50
PPARG P37231 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.48
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
SCHEMBL8549524 1.00 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACARM1PRMT6
SCHEMBL1438961 0.87 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACARM1PRMT6
SCHEMBL12311675 0.87 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACARM1PRMT6
SCHEMBL1438958 0.87 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACARM1PRMT6
SCHEMBL4747242 0.84 MEN1 (0.56) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8172012 0.84 MEN1 (0.56) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3668459 0.84 CA1 (0.47) MEN1KMT2AANPEP
SCHEMBL9201083 0.84 CARM1 (0.69) ALDH1A1MEN1KMT2ACARM1PRMT6
Hydrochloric Acid SCHEMBL8614402 0.83 MEN1 (0.55) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4747248 0.83 CYP2C9 (0.53) ALDH1A1MEN1KMT2ACARM1PRMT6

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
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed