SCHEMBL7804209

SCHEMBL7804209

CNc1ccc(C(=O)/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.46
PTPN1 P18031 7/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
IDH1 O75874 1/20 0.43
ABCB1 P08183 1/20 0.43
UGT1A1 P22309 1/20 0.43
DPP4 P27487 1/20 0.43
ABCC1 P33527 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CAPN1 P07384 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
SCHEMBL7804212 1.00 TNFRSF1A (0.46) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7184340 0.89 PTPN1 (0.55) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7184338 0.89 PTPN1 (0.55) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7185022 0.89 TNFRSF1A (0.41) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7185019 0.89 TNFRSF1A (0.41) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7186260 0.89 TNFRSF1A (0.41) TNFRSF1APTPN1ABCG2DPP4MAPT
SCHEMBL7186257 0.89 TNFRSF1A (0.41) TNFRSF1APTPN1ABCG2DPP4MAPT
SCHEMBL7182572 0.87 ABCG2 (0.43) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7182567 0.87 ABCG2 (0.43) TNFRSF1APTPN1ABCG2IDH1ABCB1
SCHEMBL7186190 0.87 CTSL (0.53) TNFRSF1APTPN1ABCG2IDH1ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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