SCHEMBL9770992

SCHEMBL9770992

O=C(O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.64
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ACHE P22303 9/20 0.52
BACE1 P56817 9/20 0.52
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47

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
SCHEMBL9770984 1.00 PTGIR (0.64) PTGIRKDM4ETSHRHSD17B10MEN1
SCHEMBL9771000 0.86 KMT2A (0.57) PTGIRKDM4ETSHRMEN1KMT2A
SCHEMBL9770961 0.86 KMT2A (0.57) PTGIRKDM4ETSHRMEN1KMT2A
SCHEMBL9771007 0.81 MEN1 (0.51) PTGIRMEN1KMT2AACHEBACE1
SCHEMBL9771033 0.81 MEN1 (0.51) PTGIRMEN1KMT2AACHEBACE1
SCHEMBL8104458 0.81 PTGIR (0.67) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL8104410 0.81 PTGIR (0.67) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL9792907 0.79 PTGIR (0.64) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL9206357 0.78 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL9198869 0.78 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP claimed
US-5021415-A Antithrombogenic agent BRISTOL-MYERS SQUIBB CO. (US) 1991-06-04 US claimed
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP disclosed
US-5021415-A Antithrombogenic agent BRISTOL-MYERS SQUIBB CO. (US) 1991-06-04 US disclosed