SCHEMBL7187064

SCHEMBL7187064

CCCCOc1ccc(CCC)c(OCCCC)c1C=CC(=O)c1ccc(NC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.42
BCHE P06276 7/20 0.39
DPP4 P27487 1/20 0.38
PTPN1 P18031 1/20 0.38
ACHE P22303 5/20 0.38
WDR5 P61964 1/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37

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
SCHEMBL7181625 0.95 ABCG2 (0.41) ABCG2BCHEDPP4ACHEABCC1
SCHEMBL7177798 0.89 CYP1A1 (0.42) ABCG2KDM4ELMNAMAPTALDH1A1
SCHEMBL7177791 0.89 CYP1A1 (0.42) ABCG2KDM4ELMNAMAPTALDH1A1
SCHEMBL7180059 0.89 PTPN1 (0.41) ABCG2BCHEPTPN1ACHE
SCHEMBL7184886 0.88 ABCG2 (0.45) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7187779 0.88 ABCG2 (0.56) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL8469442 0.88 ABCG2 (0.56) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7178891 0.87 ABCG2 (0.44) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7185393 0.85 ABCG2 (0.42) ABCG2BCHEDPP4PTPN1ACHE
SCHEMBL7179792 0.84 ABCG2 (0.42) ABCG2BCHEDPP4PTPN1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed