SCHEMBL7192095

SCHEMBL7192095

C=C(C)Oc1ccc(C(=O)/C=C/c2c(OCC)ccc(CCC)c2OCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOB P27338 10/20 0.41
MAOA P21397 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL7192105 1.00 MAPT (0.42) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7192576 0.91 ABCG2 (0.43) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7186923 0.91 ABCG2 (0.43) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7184518 0.89 PTPN1 (0.48) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7184513 0.89 PTPN1 (0.48) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7189238 0.87 MAOB (0.46) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7189234 0.87 MAOB (0.46) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7186167 0.87 MAOB (0.42) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7186171 0.87 MAOB (0.42) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7191557 0.87 ABCG2 (0.46) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1

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