SCHEMBL7192008

SCHEMBL7192008

CCCCOc1cc(OCCCC)c(CCC)cc1C=CC(=O)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.49
DPP4 P27487 3/20 0.49
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE4D Q08499 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
KRAS P01116 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7190705 0.94 DPP4 (0.47) PTPN1DPP4CTSLCTSBABCG2
SCHEMBL7185725 0.91 PTPN1 (0.48) PTPN1DPP4CTSLCTSBABCG2
SCHEMBL7185720 0.91 PTPN1 (0.48) PTPN1DPP4CTSLCTSBABCG2
SCHEMBL7177608 0.90 ABCG2 (0.57) PTPN1DPP4CTSLCTSBABCG2
SCHEMBL9113744 0.89 PTPN1 (0.57) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL9115302 0.89 PTPN1 (0.55) PTPN1DPP4ABCG2LMNAMAPT
SCHEMBL9110804 0.89 PTPN1 (0.57) PTPN1DPP4ABCG2LMNACYP1A1
SCHEMBL7178675 0.88 PTPN1 (0.55) PTPN1DPP4
SCHEMBL7186182 0.87 PTPN1 (0.48) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7177713 0.87 PTPN1 (0.48) PTPN1DPP4ABCG2LMNACYP1A1

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