SCHEMBL901425

SCHEMBL901425

CC(C)C[C@H](N)B(O)O.C[C@@H](C(=O)O)N(C(=O)N1CCOCC1)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTR2C P28335 3/20 0.34
POLB P06746 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
CTSS P25774 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
ALOX15 P16050 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
Leucine SCHEMBL8714828 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TSHRNPC1
SCHEMBL6799660 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10TSHRNPC1
SCHEMBL8713936 0.82 KDM4E (0.36) ALDH1A1KDM4EHSD17B10TSHRSMN1; SMN2
Mannitol SCHEMBL7620660 0.79 CASR (0.34) ALDH1A1KDM4EHSD17B10TSHRNPC1
SCHEMBL233988 0.76 MMP2 (0.48) ALDH1A1KDM4EHSD17B10TSHRPSMB5
SCHEMBL7289294 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10TSHRNPC1
SCHEMBL3469950 0.75 MMP2 (0.43) ALDH1A1KDM4EHSD17B10TSHRNPC1
SCHEMBL6801153 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRSMN1; SMN2KMT2A
SCHEMBL7445245 0.70 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRSMN1; SMN2KMT2A
SCHEMBL6119288 0.70 SMPD2 (0.47) SMPD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2775844-A1 BIOMARKERS OF RESPONSE TO NAE INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2013063496-A1 BIOMARKERS OF RESPONSE TO NAE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-02 WO disclosed
EP-2482839-A1 MEANS AND METHODS FOR TREATING ISCHEMIC CONDITIONS Julius-Maximilians-Universität Würzburg (DE) 2012-08-08 EP disclosed
WO-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed
WO-2011139379-A2 A METHOD OF TREATING PATIENTS UNDERGOING PROTEIN REPLACEMENT THERAPY, GENE REPLACEMENT THERAPY, OR OTHER THERAPEUTIC MODALITIES DUKE UNIVERSITY (US) 2011-11-10 WO disclosed
WO-2011039282-A1 MEANS AND METHODS FOR TREATING ISCHEMIC CONDITIONS JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2011-04-07 WO disclosed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP disclosed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP disclosed