SCHEMBL7184732

SCHEMBL7184732

CCCOc1cccc(OCCC)c1C=CC(=O)c1ccc(NC)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.55
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 2/20 0.41
DPP4 P27487 2/20 0.41
AR P10275 1/20 0.41
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
NLRP1 Q9C000 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7190647 0.94 ABCG2 (0.53) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7182330 0.90 ABCG2 (0.57) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7182335 0.90 ABCG2 (0.57) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7184017 0.86 ABCG2 (0.43) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7180114 0.86 ABCG2 (0.62) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7184853 0.85 ABCG2 (0.57) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7181625 0.83 ABCG2 (0.41) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7098094 0.83 ABCG2 (0.80) ABCG2MAPTLMNACYP1A1RAB9A
SCHEMBL7802022 0.83 ABCG2 (0.80) ABCG2MAPTLMNACYP1A1RAB9A
SCHEMBL7192342 0.82 ABCG2 (0.55) ABCG2MAPTLMNAATMSMN1; SMN2

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 3 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