SCHEMBL7186162

SCHEMBL7186162

CNc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.80
MAPT P10636 7/20 0.73
LMNA P02545 3/20 0.73
HPGD P15428 1/20 0.73
ALDH1A1 P00352 3/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
CYP1A1 P04798 1/20 0.68
CYP1B1 Q16678 1/20 0.68
ABCG2 Q9UNQ0 2/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 2/20 0.61
CTSL P07711 2/20 0.60
CTSB P07858 2/20 0.60
MAOB P27338 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 1/20 0.58

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
SCHEMBL7097175 1.00 TNFRSF1A (0.80) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL7099958 0.90 ABCG2 (0.82) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL3215700 0.89 TNFRSF1A (1.00) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL3215707 0.89 TNFRSF1A (1.00) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL30674925 0.89 TNFRSF1A (1.00) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL30383266 0.89 TNFRSF1A (1.00) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL7097770 0.86 MAPT (0.71) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL29600833 0.85 TNFRSF1A (0.86) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL7180313 0.85 TNFRSF1A (0.86) TNFRSF1AMAPTLMNAHPGDALDH1A1
SCHEMBL7180309 0.85 TNFRSF1A (0.86) TNFRSF1AMAPTLMNAHPGDALDH1A1

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