SCHEMBL9730724

SCHEMBL9730724

COc1c(C(=O)O)c(=O)[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49

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
SCHEMBL29859446 1.00 KDM4E (0.66) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7813594 0.84 KDM4E (0.52) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11291425 0.82 KDM4E (0.48) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11389359 0.81 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2384520 0.81 KDM4E (0.53) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9147032 0.80 KDM4E (0.51) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7804238 0.80 KDM4E (0.49) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4065612 0.80 KDM4E (0.72) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL29415434 0.80 KDM4E (1.00) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2805779 0.80 KDM4E (1.00) KDM4ETDP1ALDH1A1SMN1; SMN2MEN1

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
JP-4211077-A None JP disclosed
JP-H04211077-A OPTICALLY ACTIVE 8-METHOXYQUINOLONECARBOXYLIC ACID DERIVATIVE, ITS PRODUCTION AND INTERMEDIATE KYORIN PHARMACEUT CO LTD 1992-08-03 JP disclosed