SCHEMBL8725159

SCHEMBL8725159

CCC(O)CCCCCC(=O)C(C(=O)N1C(=O)OCC1c1ccccc1)C(CC)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.35
▸ IL6ST P40189 1/20 0.33
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ PPARA Q07869 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTGER2 P43116 1/20 0.30

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
SCHEMBL6957774 1.00 NAAA (0.35) NAAAIL6STCRHBPCRHR2PPARA
SCHEMBL6956827 0.87 CRHBP (0.39) NAAAIL6STCRHBPCRHR2PTPN1
SCHEMBL7945756 0.87 CRHBP (0.39) NAAAIL6STCRHBPCRHR2PTPN1
SCHEMBL6950257 0.87 CRHBP (0.39) NAAAIL6STCRHBPCRHR2PTPN1
SCHEMBL6950253 0.87 CRHBP (0.39) NAAAIL6STCRHBPCRHR2PTPN1
SCHEMBL6950922 0.87 CRHBP (0.39) NAAAIL6STCRHBPCRHR2PTPN1
SCHEMBL6956993 0.83 CRHBP (0.32) IL6STCRHBPCRHR2PTPN1
SCHEMBL6947001 0.81 CRHBP (0.31) NAAAIL6STCRHBPCRHR2
SCHEMBL8724413 0.79 CRHBP (0.38) NAAAIL6STCRHBPCRHR2PPARA
SCHEMBL6954293 0.79 AVPR1A (0.37) NAAAIL6STCRHBPCRHR2PTPN1

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-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 — — US disclosed
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