SCHEMBL3918459

SCHEMBL3918459

O=C(O)C1(c2ccccc2O)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.62
HDAC4 P56524 7/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 1/20 0.40
HSD11B1 P28845 1/20 0.40
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39

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
SCHEMBL12842002 0.98 AKR1C1 (0.64) AKR1C1HDAC4KMT2AMEN1ERCC1
SCHEMBL2050986 0.94 AKR1C1 (0.59) AKR1C1HDAC4KMT2AMEN1NPSR1
SCHEMBL15108974 0.92 AKR1C1 (0.55) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
SCHEMBL27586088 0.86 AKR1C1 (0.48) AKR1C1HDAC4KMT2AMEN1ERCC1
SCHEMBL9188088 0.83 AKR1C1 (0.47) AKR1C1HDAC4KMT2AMEN1ERCC1
SCHEMBL23920040 0.81 AKR1C1 (0.58) AKR1C1HDAC4KMT2AMEN1NPSR1
SCHEMBL2867660 0.81 HDAC4 (0.65) AKR1C1HDAC4KMT2AMEN1THRB
SCHEMBL27152666 0.81 AKR1C1 (0.58) AKR1C1HDAC4KMT2AMEN1NPSR1
SCHEMBL29567033 0.81 HDAC4 (0.65) AKR1C1HDAC4KMT2AMEN1THRB
SCHEMBL18764272 0.81 HDAC4 (0.65) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2

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
US-20040116398-A1 Therapeutic applications of estrogenic carboxylic acids SOUTHERN ILLINOIS UNIVERSITY 2004-06-17 US claimed
WO-1999066915-A2 THERAPEUTIC APPLICATIONS OF ESTROGENIC CARBOXYLIC ACIDS SOUTHERN ILLINOIS UNIVERSITY AT CARBONDALE (US) 1999-12-29 WO claimed
EP-2086551-A2 THROMBOPOIETIN MIMETICS Stategics, Inc. (US) 2009-08-12 EP disclosed
WO-2008070583-A2 THROMBOPOIETIN MIMETICS STATEGICS, INC. (US) 2008-06-12 WO disclosed
US-20040116398-A1 Therapeutic applications of estrogenic carboxylic acids SOUTHERN ILLINOIS UNIVERSITY 2004-06-17 US disclosed
US-6608111-B1 Estrogenic carboxylic acids; administering bisdehydrodoisynolic acid SOUTHERN ILLINOIS UNIVERSITY OFFICE OF RESEARCH, DEVELOPMENT AND ADMINISTRATION 2003-08-19 US disclosed
WO-1999066915-A2 THERAPEUTIC APPLICATIONS OF ESTROGENIC CARBOXYLIC ACIDS SOUTHERN ILLINOIS UNIVERSITY AT CARBONDALE (US) 1999-12-29 WO disclosed
US-4336398-A Process for the preparation of basic esters of substituted hydroxycyclohexanecarboxylic acids LABORATORIO GUIDOTTI & C. S.P.A. (IT) 1982-06-22 US disclosed