SCHEMBL8693305

SCHEMBL8693305

CC(C)(C)OC(=O)N=C(c1ccc(C(=O)O)cc1)N(OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SRD5A2 P31213 2/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
NR1H4 Q96RI1 2/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
ELANE P08246 1/20 0.33
RXRG P48443 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7987374 0.87 MAPT (0.42) MAPTSRD5A2TP53TSHRCA1
SCHEMBL7987377 0.87 MAPT (0.42) MAPTSRD5A2TP53TSHRCA1
SCHEMBL8690283 0.79 HDAC3 (0.40) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL15876020 0.74 MAPT (0.39) MAPTSRD5A2TP53TSHRCA1
SCHEMBL6646490 0.73 LMNA (0.33) MAPTTP53TSHRCA1CA2
SCHEMBL7975312 0.72 MAPT (0.47) MAPTSRD5A2TP53TSHRCA1
SCHEMBL7975315 0.72 MAPT (0.47) MAPTSRD5A2TP53TSHRCA1
SCHEMBL7992464 0.71
SCHEMBL7992462 0.71
SCHEMBL21800935 0.71 HDAC3 (0.39) MAPTALDH1A1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747522-A ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS HOFFMAN-LA ROCHE INC. (US) 1998-05-05 US disclosed
US-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed