SCHEMBL7804820

SCHEMBL7804820

C=CC(C)(C)c1cc(C(C)(C)C=C)c(OC(C)C)c(/C=C/C(=O)c2ccc(O)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.53
ABCG2 Q9UNQ0 3/20 0.52
IDH1 O75874 1/20 0.52
ABCB1 P08183 1/20 0.52
UGT1A1 P22309 1/20 0.52
DPP4 P27487 1/20 0.52
ABCC1 P33527 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
P4HB P07237 3/20 0.38
CAPN1 P07384 1/20 0.38
MAOB P27338 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F3 P13726 1/20 0.37
CALM1 P0DP23 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7184037 1.00 PTPN1 (0.53) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7191504 0.87 TNFRSF1A (0.43) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7191500 0.87 TNFRSF1A (0.43) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7185998 0.85 PTPN1 (0.53) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7186207 0.85 PTPN1 (0.53) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7186004 0.85 PTPN1 (0.53) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7186203 0.85 PTPN1 (0.53) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7186723 0.83 PTPN1 (0.59) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7179160 0.83 PTPN1 (0.51) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7179158 0.83 PTPN1 (0.51) PTPN1ABCG2IDH1ABCB1UGT1A1

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 1 patent. 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