SCHEMBL7184530

SCHEMBL7184530

C=CCOc1ccc(C(=O)C=Cc2c(OCC)ccc(CC=C)c2OCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.55
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAOB P27338 7/20 0.45
MAOA P21397 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL7192693 1.00 PTPN1 (0.55) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7192110 0.91 PTPN1 (0.47) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7803230 0.91 PTPN1 (0.47) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7191607 0.90 PTPN1 (0.53) PTPN1MAPTABCG2
SCHEMBL7186273 0.90 PTPN1 (0.53) PTPN1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7184662 0.88 MAPT (0.50) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7184658 0.88 MAPT (0.50) PTPN1MAPTSMN1; SMN2NPC1POLB
SCHEMBL7182758 0.88 PTPN1 (0.52) PTPN1POLBLMNAMAOBABCG2
SCHEMBL7182752 0.88 PTPN1 (0.52) PTPN1POLBLMNAMAOBABCG2
SCHEMBL7184513 0.88 PTPN1 (0.48) PTPN1MAPTSMN1; SMN2KDM4ELMNA

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 9 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 claimed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP 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
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