SCHEMBL7178902

SCHEMBL7178902

CCCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OCC)cc1OCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.53
ABCG2 Q9UNQ0 4/20 0.52
MAOB P27338 2/20 0.52
DPP4 P27487 5/20 0.52
PTPN1 P18031 4/20 0.52
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7178904 1.00 CAPN1 (0.53) CAPN1ABCG2MAOBDPP4PTPN1
SCHEMBL7186287 0.92 PTPN1 (0.59) CAPN1ABCG2MAOBDPP4PTPN1
SCHEMBL7186282 0.92 PTPN1 (0.59) CAPN1ABCG2MAOBDPP4PTPN1
SCHEMBL7188883 0.92 ABCG2 (0.55) CAPN1ABCG2MAOBDPP4PTPN1
SCHEMBL7177608 0.91 ABCG2 (0.57) CAPN1ABCG2MAOBDPP4PTPN1
SCHEMBL9114718 0.91 PTPN1 (0.58) ABCG2MAOBDPP4PTPN1LMNA
SCHEMBL9111725 0.91 PTPN1 (0.58) ABCG2MAOBDPP4PTPN1LMNA
SCHEMBL7185720 0.89 PTPN1 (0.48) ABCG2DPP4PTPN1LMNACTSL
SCHEMBL7185725 0.89 PTPN1 (0.48) ABCG2DPP4PTPN1LMNACTSL
SCHEMBL9114532 0.88 MAOB (0.56) ABCG2MAOBDPP4PTPN1LMNA

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