SCHEMBL7651380

SCHEMBL7651380

O=C(CCC1CCCC1)OO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
MIF P14174 1/20 0.46
KLK7 P49862 5/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9004410 0.98 HPGD (0.50) HPGDMIFKLK7MAPTMEN1
SCHEMBL19452478 0.84 HPGD (0.48) HPGDMIFKLK7MAPTMEN1
SCHEMBL11843186 0.84 HPGD (0.48) HPGDMIFKLK7MAPTMEN1
SCHEMBL10559579 0.84 EPHX1 (0.42) HPGDMIFLMNASMN1; SMN2
SCHEMBL9011955 0.83 NAAA (0.55) HPGDMIFKLK7MAPTMEN1
SCHEMBL10623651 0.82 HPGD (0.52) HPGDMIFKLK7MAPTMEN1
SCHEMBL10557471 0.82 HPGD (0.52) HPGDMIFKLK7MAPTMEN1
SCHEMBL25252093 0.81 NAAA (0.56) HPGDMIFKLK7MAPTMEN1
SCHEMBL9012245 0.81 NAAA (0.56) HPGDMIFKLK7MAPTMEN1
SCHEMBL697221 0.80 ALDH1A1 (0.50) HPGDKLK7MAPTMEN1KMT2A

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
EP-1265911-A2 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-12-18 EP disclosed
WO-2001074840-A2 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNA 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2001-10-11 WO disclosed