SCHEMBL8800529

SCHEMBL8800529

CCCCCCn1cncc1CO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
TBXAS1 P24557 2/20 0.40
TLR8 Q9NR97 3/20 0.38
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AMPD1 P23109 2/20 0.35
AMPD2 Q01433 1/20 0.35
KDR P35968 5/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL6928075 1.00 CYP11B1 (0.41) CYP11B1CYP11B2TBXAS1TLR8ALDH1A1
SCHEMBL6926786 1.00 CYP11B1 (0.41) CYP11B1CYP11B2TBXAS1TLR8ALDH1A1
SCHEMBL6926318 0.98 CYP11B1 (0.42) CYP11B1CYP11B2TBXAS1TLR8ALDH1A1
SCHEMBL9597354 0.87 CYP11B1 (0.43) CYP11B1CYP11B2TBXAS1TLR8ALDH1A1
SCHEMBL5391398 0.85 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL1075247 0.82 TBXAS1 (0.47) CYP11B1CYP11B2TBXAS1TLR8ALDH1A1
SCHEMBL7247430 0.82 CYP11B1 (0.46) CYP11B1CYP11B2TBXAS1AMPD2
Hydrochloric Acid SCHEMBL6926010 0.81 TLR8 (0.39) TBXAS1TLR8ALDH1A1TDP1MGLL
Hydrochloric Acid SCHEMBL6926145 0.81 TLR8 (0.39) TBXAS1TLR8ALDH1A1TDP1MGLL
SCHEMBL9570273 0.80 TBXAS1 (0.40) CYP11B1CYP11B2TBXAS1TLR8ALDH1A1

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