SCHEMBL13680858

SCHEMBL13680858

O=CCCc1ccc(Cl)o1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CEL P19835 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTRC Q99895 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TTR P02766 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
SCHEMBL1616548 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPTPOLBPKM
SCHEMBL8649236 0.75 ALDH1A1 (0.36) ALDH1A1TSHRMAPTKDM4EPOLB
SCHEMBL4155788 0.75 CHRM2 (0.45) ALDH1A1TSHRMAPTKDM4EPOLB
SCHEMBL13680861 0.75 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL28772965 0.75 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL13680864 0.74 ALDH1A1 (0.63) ALDH1A1TSHRMAPTKDM4EPOLB
SCHEMBL25183771 0.71 HIF1A (0.41) ALDH1A1TSHR
SCHEMBL3350886 0.71
SCHEMBL12820167 0.71
SCHEMBL13680865 0.71 SOS1 (0.56) ALDH1A1MAPTKDM4EPOLBL3MBTL1

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