SCHEMBL8075231

SCHEMBL8075231

CC(=O)Oc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.75
PTGER4 P35408 6/20 0.75
PTGER3 P43115 2/20 0.75
PTGER1 P34995 1/20 0.73
TBXA2R P21731 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGDR Q13258 1/20 0.42
FABP4 P15090 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRA P19793 1/20 0.36

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
SCHEMBL9006710 1.00 PTGIR (0.75) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL9006850 0.95 PTGIR (0.74) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL8080709 0.95 PTGIR (0.74) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL9006955 0.93 PTGIR (0.66) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL9006705 0.92 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL8075227 0.92 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL8548332 0.90 PTGIR (0.66) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL9006885 0.88 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL7479094 0.88 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1TBXA2R
SCHEMBL7949957 0.88 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1TBXA2R

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-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US claimed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed