SCHEMBL6323596

SCHEMBL6323596

OC1(c2ccccc2)CCCc2c1ccc1c2C(O)(c2ccccc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.45
MAP3K14 Q99558 2/20 0.38
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
CYP3A4 P08684 3/20 0.38
CYP17A1 P05093 2/20 0.38
BRD4 O60885 1/20 0.35
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CASR P41180 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL6316631 0.78 PGR (0.47) PGRCYP11B1CYP11B2CYP3A4CYP17A1
SCHEMBL10590671 0.74 PGR (0.51) PGRMAP3K14CYP11B1CYP11B2CYP3A4
SCHEMBL27719379 0.73 CYP11B2 (0.43) PGRMAP3K14CYP11B1CYP11B2CYP3A4
SCHEMBL9906167 0.73 KDM1A (0.49) PGRBRD4ADORA3AKR1C1
SCHEMBL19130584 0.68 HDAC9 (0.50) PGRMAP3K14CYP11B2CYP3A4CYP17A1
SCHEMBL5796055 0.68 HDAC9 (0.50) PGRMAP3K14CYP11B2CYP3A4CYP17A1
SCHEMBL7308988 0.68 CYP2C9 (0.44) PGRAKR1C1
SCHEMBL31285786 0.68 CASR (0.38) PGRCYP11B1CYP11B2CYP3A4CYP17A1
SCHEMBL10904978 0.68 PGR (0.40) PGRMAP3K14CYP11B1CYP11B2CYP3A4
SCHEMBL7072344 0.66 SLC18A3 (0.43) PGRCYP11B1CYP11B2CYP3A4CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974855-B1 Polyimides by photochemical cyclopolymerization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2005-12-13 US disclosed