SCHEMBL8107680

SCHEMBL8107680

COc1cccc2cc(C(=O)O)c(OC(C)=O)cc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.81
ALDH1A1 P00352 5/20 0.81
HPGD P15428 5/20 0.81
HSD17B10 Q99714 4/20 0.81
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
TSHR P16473 2/20 0.51
ESR1 P03372 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HMGB1 P09429 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
SCHEMBL8124639 0.93 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL551105 0.90 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL29353299 0.90 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL8115471 0.87 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL29450082 0.85 ALDH1A1 (0.84) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL164671 0.85 ALDH1A1 (0.84) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL8126323 0.83 ALDH1A1 (0.88) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL8117517 0.82 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL10390227 0.81 GRIN2D (0.62) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL8207252 0.81 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10CA12

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-6060602-A Compounds for producing 2-naphthamide derivative FUJIREBIO INC. (JP) 2000-05-09 US disclosed
EP-0747369-B1 Method of producing 2-naphthamide derivative, and compounds for producing 2-naphthamide derivative FUJIREBIO KK (JP) 2000-05-03 EP disclosed
US-5917046-A Method for producing 2-naphthamide derivative, and compounds for producing 2-naphthamide derivative FUJIREBIO INC. (JP) 1999-06-29 US disclosed
US-5714613-A Method of producing 2-naphthamide derivative, and compounds for producing 2-naphthamide derivative FUJIREBIO INC. (JP) 1998-02-03 US disclosed
EP-0747369-A1 Method of producing 2-naphthamide derivative, and compounds for producing 2-naphthamide derivative FUJIREBIO Inc. (JP) 1996-12-11 EP disclosed