SCHEMBL7315382

SCHEMBL7315382

CCOCc1ccc(-c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA12 O43570 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA7 P43166 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL2412752 0.95 LOXL2 (0.59) LOXL2MAPTSMN1; SMN2RAB9ANPC1
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890575 0.88 CA1 (0.56) LOXL2MAPTMEN1KMT2ACA1
SCHEMBL6665979 0.86 LOXL2 (0.66) LOXL2MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14926515 0.84 LOXL2 (0.59) LOXL2MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10243318 0.84 LOXL2 (0.63) LOXL2MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10243185 0.84 LOXL2 (0.63) LOXL2MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7317105 0.84 MAPT (0.53) LOXL2MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13266929 0.83 RARB (0.57) MAPTSMN1; SMN2RAB9ANPC1MEN1
Ether SCHEMBL22720575 0.82 CA1 (0.61) LOXL2MAPTRAB9AMEN1KMT2A
SCHEMBL7218133 0.81 LOXL2 (0.56) LOXL2MAPTSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed