SCHEMBL7182372

SCHEMBL7182372

C=CCc1cc(CC=C)c(OCOC(=O)C(C)(C)C)c(C=CC(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.49
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7182365 1.00 PTPN1 (0.49) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL9197967 0.95 PTPN1 (0.45) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7183992 0.92 PTPN1 (0.52) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7183999 0.92 PTPN1 (0.52) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7184419 0.91 LMNA (0.47) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7184408 0.91 LMNA (0.47) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7802591 0.91 PTPN1 (0.46) PTPN1
SCHEMBL7802585 0.91 PTPN1 (0.46) PTPN1
SCHEMBL7180260 0.90 PTPN1 (0.43) PTPN1
SCHEMBL7180268 0.90 PTPN1 (0.43) PTPN1

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 3 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