SCHEMBL7182758

SCHEMBL7182758

C=CCc1ccc(OCC)c(C=CC(=O)c2ccc(O)cc2)c1OCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.52
ABCG2 Q9UNQ0 3/20 0.49
MAOB P27338 2/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CAPN1 P07384 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 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
SCHEMBL7182752 1.00 PTPN1 (0.52) PTPN1ABCG2MAOBLMNAPOLB
SCHEMBL7191820 0.90 PTPN1 (0.47) PTPN1LMNACYP1A1CYP1A2CYP2D6
SCHEMBL7191827 0.90 PTPN1 (0.47) PTPN1LMNACYP1A1CYP1A2CYP2D6
SCHEMBL7189546 0.89 ABCG2 (0.51) PTPN1ABCG2MAOBCAPN1
SCHEMBL7191014 0.88 ABCG2 (0.53) PTPN1ABCG2MAOBCAPN1
SCHEMBL7184530 0.88 PTPN1 (0.55) PTPN1ABCG2MAOBLMNAPOLB
SCHEMBL7186099 0.88 PTPN1 (0.46) PTPN1LMNAPOLBCYP1A1CYP1A2
SCHEMBL7192693 0.88 PTPN1 (0.55) PTPN1ABCG2MAOBLMNAPOLB
SCHEMBL7177465 0.88 PTPN1 (0.46) PTPN1MAOBLMNAPOLBCYP1A1
SCHEMBL7177462 0.88 PTPN1 (0.46) PTPN1MAOBLMNAPOLBCYP1A1

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