SCHEMBL7186830

SCHEMBL7186830

CC(C)Oc1ccc(C=CC(=O)c2ccc(O)cc2)c(OC(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.61
CTSB P07858 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
TNFRSF1A P19438 1/20 0.58
CAPN1 P07384 2/20 0.54
MAOB P27338 1/20 0.54
CHRNA7 P36544 1/20 0.54
MAPT P10636 4/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
P4HB P07237 1/20 0.50
CALM1 P0DP23 1/20 0.50
DPP4 P27487 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL7186825 1.00 CTSL (0.61) CTSLCTSBTDP1TNFRSF1ACAPN1
SCHEMBL9112769 0.90 TNFRSF1A (0.73) CTSLCTSBTDP1TNFRSF1AMAOB
SCHEMBL3969740 0.88 CTSL (0.60) CTSLCTSBTDP1TNFRSF1ACAPN1
SCHEMBL7184137 0.88 CTSL (0.58) CTSLCTSBTDP1TNFRSF1AMAOB
SCHEMBL7184140 0.88 CTSL (0.58) CTSLCTSBTDP1TNFRSF1AMAOB
SCHEMBL7186661 0.87 TNFRSF1A (0.52) CTSLCTSBTDP1TNFRSF1AMAOB
SCHEMBL7186659 0.87 TNFRSF1A (0.52) CTSLCTSBTDP1TNFRSF1AMAOB
SCHEMBL7185707 0.86 TNFRSF1A (0.54) CTSLCTSBTDP1TNFRSF1AMAOB
SCHEMBL7185712 0.86 TNFRSF1A (0.54) CTSLCTSBTDP1TNFRSF1AMAOB
SCHEMBL7177326 0.86 TNFRSF1A (0.54) CTSLCTSBTDP1TNFRSF1AMAOB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO claimed
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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO 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