SCHEMBL7185993

SCHEMBL7185993

CCCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ATM Q13315 2/20 0.46
PTPN1 P18031 4/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
DPP4 P27487 5/20 0.43
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7185989 1.00 MAPT (0.46) MAPTLMNASMN1; SMN2ATMPTPN1
SCHEMBL7191428 0.92 DPP4 (0.46) MAPTLMNASMN1; SMN2ATMPTPN1
SCHEMBL7177713 0.91 PTPN1 (0.48) MAPTLMNASMN1; SMN2ATMPTPN1
SCHEMBL7186619 0.91 PTPN1 (0.53) MAPTLMNASMN1; SMN2ATMPTPN1
SCHEMBL7186617 0.91 PTPN1 (0.53) MAPTLMNASMN1; SMN2ATMPTPN1
SCHEMBL7185865 0.88 ABCG2 (0.59) MAPTLMNASMN1; SMN2ATMPTPN1
SCHEMBL7185860 0.88 ABCG2 (0.59) MAPTLMNASMN1; SMN2ATMPTPN1
SCHEMBL9114718 0.87 PTPN1 (0.58) MAPTLMNASMN1; SMN2PTPN1ABCG2
SCHEMBL7178902 0.87 CAPN1 (0.53) MAPTLMNASMN1; SMN2ATMPTPN1
SCHEMBL9111725 0.87 PTPN1 (0.58) MAPTLMNASMN1; SMN2PTPN1ABCG2

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