SCHEMBL7182878

SCHEMBL7182878

C=C(C)Oc1ccc(C(=O)/C=C/c2c(OCC)cccc2OCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.53
MAOB P27338 9/20 0.51
MAOA P21397 1/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7182883 1.00 ABCG2 (0.53) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7185283 0.91 ABCG2 (0.51) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7184047 0.91 ABCG2 (0.51) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7189238 0.86 MAOB (0.46) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7189234 0.86 MAOB (0.46) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7806442 0.86 ABCG2 (0.74) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7806439 0.86 ABCG2 (0.74) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7183583 0.84 ABCG2 (0.52) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7183582 0.84 ABCG2 (0.52) ABCG2MAOBMAOAMAPTLMNA
SCHEMBL7191610 0.84 ABCG2 (0.55) ABCG2MAOBMAOAMAPTLMNA

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