SCHEMBL8799103

SCHEMBL8799103

CCCCCCn1cncc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
TLR8 Q9NR97 2/20 0.43
MAPK1 P28482 3/20 0.40
CNR1 P21554 1/20 0.40
GRK6 P43250 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.36
GRM2 Q14416 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
QPCT Q16769 1/20 0.35

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
SCHEMBL5726023 0.98 CYP11B1 (0.50) CYP11B1CYP11B2TLR8MAPK1CNR1
SCHEMBL23930932 0.94 CYP11B1 (0.51) CYP11B1CYP11B2TLR8MAPK1CNR1
SCHEMBL6336700 0.85 CYP11B1 (0.41) CYP11B1CYP11B2TLR8MAPK1CNR1
SCHEMBL15202361 0.85 GABRA1 (0.47) CYP11B1CYP11B2CNR1CYP1A2CYP2C19
SCHEMBL6701818 0.81 TDP1 (0.39) TLR8CNR1CYP1A2CYP2C19GAA
SCHEMBL7424605 0.81 CYP11B1 (0.59) CYP11B1CYP11B2MAPK1CYP1A2CYP2C19
SCHEMBL31260829 0.79 CYP11B1 (0.46) CYP11B1CYP11B2MAPK1MEN1KMT2A
SCHEMBL27264726 0.78 CYP11B1 (0.45) CYP11B1CYP11B2MAPK1TDP1LMNA
SCHEMBL31203889 0.77 CYP11B1 (0.49) CYP11B1CYP11B2MAPK1CYP1A2CYP2C19
SCHEMBL18185717 0.76 CYP11B1 (0.55) CYP11B1CYP11B2MAPK1GRM2HTR7

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-0482771-B1 Heterocyclic acids ZENECA LTD (GB) 1997-06-18 EP disclosed
US-5410064-A Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-25 US disclosed
US-5219874-A Heterocyclic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
EP-0482771-A2 Heterocyclic acids ZENECA LIMITED (GB) 1992-04-29 EP disclosed