SCHEMBL7192005

SCHEMBL7192005

CNc1ccc(C(=O)/C=C/c2cc(C)c(OC)cc2OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.66
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
DPP4 P27487 6/20 0.55
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
SNCA P37840 2/20 0.53
CAPN1 P07384 1/20 0.53
TNFRSF1A P19438 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
PAX8 Q06710 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL7192010 1.00 ABCG2 (0.66) ABCG2MAPTMEN1LMNAKMT2A
SCHEMBL7099872 0.91 ABCG2 (0.81) ABCG2MAPTMEN1LMNAKMT2A
SCHEMBL7180031 0.90 DPP4 (0.61) ABCG2DPP4CTSLCTSBSNCA
SCHEMBL7180037 0.90 DPP4 (0.61) ABCG2DPP4CTSLCTSBSNCA
SCHEMBL7184368 0.85 DPP4 (0.74) ABCG2DPP4CTSLCTSBSNCA
SCHEMBL9111986 0.85 TNFRSF1A (0.72) ABCG2MAPTLMNASMN1; SMN2DPP4
SCHEMBL7184370 0.85 DPP4 (0.74) ABCG2DPP4CTSLCTSBSNCA
SCHEMBL9111983 0.85 TNFRSF1A (0.72) ABCG2MAPTLMNASMN1; SMN2DPP4
SCHEMBL7189059 0.84 ABCG2 (0.69) ABCG2DPP4CTSLCTSBSNCA
SCHEMBL7189052 0.84 ABCG2 (0.69) ABCG2DPP4CTSLCTSBSNCA

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