SCHEMBL9470918

SCHEMBL9470918

CC(Cc1ccccc1)OC(=O)N1Cc2ccccc2CC1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.61
ABCB11 O95342 1/20 0.53
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7814712 0.86 ACE (0.64) ACEABCB11POLBTDP1L3MBTL1
SCHEMBL9470471 0.84 NR1D1 (0.47) ACEABCB11
SCHEMBL14862925 0.80 NPSR1 (0.62) ACEABCB11POLBTDP1L3MBTL1
SCHEMBL30314166 0.80 NPSR1 (0.62) ACEABCB11POLBTDP1L3MBTL1
SCHEMBL1052393 0.80 NPSR1 (0.62) ACEABCB11POLBTDP1L3MBTL1
SCHEMBL3629346 0.80 NPSR1 (0.62) ACEABCB11POLBTDP1L3MBTL1
SCHEMBL29401156 0.80 NPSR1 (0.62) ACEABCB11POLBTDP1L3MBTL1
SCHEMBL7274646 0.79 ACE (0.62) ACEABCB11POLBTDP1L3MBTL1
SCHEMBL7274651 0.79 ACE (0.62) ACEABCB11POLBTDP1L3MBTL1
SCHEMBL27431282 0.79 ACE (0.62) ACEABCB11POLBTDP1L3MBTL1

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
US-5200416-A CYCLIC AMIDES USV PHARMACEUTICAL CORPORATION (US) 1993-04-06 US disclosed
EP-0039804-A1 Cyclic amides USV PHARMACEUTICAL CORPORATION (US) 1981-11-18 EP disclosed