SCHEMBL7960388

SCHEMBL7960388

COc1cccc(CC2CCC=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.51
PTGER4 P35408 5/20 0.48
PTGER3 P43115 1/20 0.48
PTGER1 P34995 1/20 0.45
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EED O75530 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
SCHEMBL7959822 0.85 PTGIR (0.54) PTGIRPTGER4PTGER3PTGER1KDM4E
SCHEMBL7961262 0.83 PTGIR (0.66) PTGIRPTGER4PTGER3PTGER1KDM4E
SCHEMBL8066610 0.83 PTGIR (0.72) PTGIRPTGER4PTGER3PTGER1HTR1A
SCHEMBL8056718 0.83 PTGIR (0.72) PTGIRPTGER4PTGER3PTGER1HTR1A
SCHEMBL7949692 0.83 PTGIR (0.72) PTGIRPTGER4PTGER3PTGER1HTR1A
SCHEMBL7960009 0.82 TDP1 (0.42) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL7960392 0.79 PTGIR (0.46) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL7479094 0.79 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL9006885 0.79 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL7949957 0.79 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1RXRA

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-6245790-B1 ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS; SKN DISORDERS; BONE DISORDERS; MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed