SCHEMBL7177465

SCHEMBL7177465

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.46
LMNA P02545 5/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1B1 Q16678 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAOB P27338 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7177462 1.00 PTPN1 (0.46) PTPN1LMNAMAPTALDH1A1POLB
SCHEMBL7191205 0.90 PTPN1 (0.41) PTPN1LMNAPOLBCYP1A1CYP1B1
SCHEMBL7177354 0.89 PTPN1 (0.41) PTPN1
SCHEMBL7182752 0.88 PTPN1 (0.52) PTPN1LMNAPOLBCYP1A1CYP1A2
SCHEMBL7182758 0.88 PTPN1 (0.52) PTPN1LMNAPOLBCYP1A1CYP1A2
SCHEMBL7191820 0.87 PTPN1 (0.47) PTPN1LMNAMAPTALDH1A1CYP1A1
SCHEMBL7191827 0.87 PTPN1 (0.47) PTPN1LMNAMAPTALDH1A1CYP1A1
SCHEMBL7184673 0.87 MAPT (0.44) LMNAMAPTALDH1A1POLBCYP1A1
SCHEMBL7184677 0.87 MAPT (0.44) LMNAMAPTALDH1A1POLBCYP1A1
SCHEMBL7186099 0.85 PTPN1 (0.46) PTPN1LMNAMAPTALDH1A1POLB

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