SCHEMBL7187901

SCHEMBL7187901

CCOc1cc(OCC)c(C(C)(C)C)cc1C=CC(=O)c1ccc(NC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ATM Q13315 2/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ PTPN1 P18031 9/20 0.44
▸ DPP4 P27487 3/20 0.43
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ IDH1 O75874 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ UGT1A1 P22309 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ PRMT6 Q96LA8 1/20 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

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
SCHEMBL7187898 1.00 MAPT (0.46) MAPTLMNASMN1; SMN2ATMABCG2
SCHEMBL7177740 0.91 PTPN1 (0.49) MAPTLMNASMN1; SMN2ATMABCG2
SCHEMBL7177735 0.91 PTPN1 (0.49) MAPTLMNASMN1; SMN2ATMABCG2
SCHEMBL7180052 0.91 DPP4 (0.45) MAPTLMNASMN1; SMN2ATMABCG2
SCHEMBL7186650 0.90 PTPN1 (0.47) MAPTLMNASMN1; SMN2ATMABCG2
SCHEMBL7190212 0.89 PTPN1 (0.59) MAPTLMNASMN1; SMN2ATMABCG2
SCHEMBL7190218 0.89 PTPN1 (0.59) MAPTLMNASMN1; SMN2ATMABCG2
SCHEMBL7192570 0.87 PTPN1 (0.57) MAPTLMNASMN1; SMN2ATMABCG2
SCHEMBL9113156 0.87 DPP4 (0.56) MAPTLMNASMN1; SMN2ABCG2PTPN1
SCHEMBL7192566 0.87 PTPN1 (0.57) MAPTLMNASMN1; SMN2ATMABCG2

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
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