SCHEMBL8724413

SCHEMBL8724413

CCCC(C(=O)N1C(=O)OCC1c1ccccc1)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ IL6ST P40189 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ UBE2M P61081 2/20 0.34
▸ DCUN1D1 Q96GG9 2/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ IDH1 O75874 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ LTA4H P09960 1/20 0.33

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
SCHEMBL6950922 0.83 CRHBP (0.39) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL7945756 0.83 CRHBP (0.39) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL6956827 0.83 CRHBP (0.39) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL6950253 0.83 CRHBP (0.39) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL6950257 0.83 CRHBP (0.39) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL6958547 0.82 CRHBP (0.38) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL7950843 0.82 CRHBP (0.38) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL6956625 0.82 CRHBP (0.38) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL8722000 0.80 CRHBP (0.38) CRHBPCRHR2ALDH1A1GAAHTT
SCHEMBL7888208 0.80 CRHBP (0.38) CRHBPCRHR2ALDH1A1GAAHTT

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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