SCHEMBL9113601

SCHEMBL9113601

COCCOCOc1c(OC)cc(C=CC(=O)c2ccccc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.64
ABCB1 P08183 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A1 P04798 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 3/20 0.56
CYP1B1 Q16678 3/20 0.56
KRAS P01116 5/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
ABCG2 Q9UNQ0 2/20 0.53
CYP2C8 P10632 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL10737039 0.86 KDM4E (0.62) TNFRSF1AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10737031 0.86 KDM4E (0.62) TNFRSF1AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2744009 0.84 TNFRSF1A (0.60) TNFRSF1AABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL29045031 0.83 MAPT (0.57) TNFRSF1AABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL16171985 0.82 MAPT (0.67) TNFRSF1AMAPTALDH1A1NPC1RAB9A
SCHEMBL11796150 0.81 ABCB1 (0.83) TNFRSF1AABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL11796142 0.81 ABCB1 (0.83) TNFRSF1AABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL9113586 0.81 ABCB1 (0.56) TNFRSF1AABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL9113609 0.81 ABCB1 (0.56) TNFRSF1AABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL9672672 0.80 TNFRSF1A (0.52) TNFRSF1AABCB1MAPTALDH1A1SMN1; SMN2

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed