SCHEMBL13680985

SCHEMBL13680985

O=CCCc1ccc(-c2ccc3c(c2)COC3=O)o1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 16/20 0.52
ACHE P22303 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
RECQL P46063 1/20 0.39

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
SCHEMBL14761353 0.81 PRF1 (0.62) PRF1ACHEMAPTLMNAGAA
SCHEMBL13681001 0.81 HSD17B1 (0.44) PRF1MAPT
SCHEMBL13680969 0.79 GSK3B (0.43) PRF1
SCHEMBL6103756 0.76 KCNJ1 (0.62) PRF1ACHEMAPTLMNAGAA
SCHEMBL13680993 0.76 PRF1 (0.53) PRF1ACHEMAPTLMNAGAA
SCHEMBL13680592 0.75 PRF1 (0.55) PRF1ACHEMAPTLMNAGAA
SCHEMBL13680968 0.74 ALDH1A1 (0.35) MAPT
SCHEMBL13680978 0.73 PDE3B (0.47)
SCHEMBL13680859 0.73 ALDH1A1 (0.60) MAPTLMNA
SCHEMBL13680973 0.71 CRBN (0.42) MAPT

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed