SCHEMBL10339486

SCHEMBL10339486

COC(=O)c1cc(C(=O)c2cc(C(=O)OC)c(OC)c(C(=O)OC)c2)cc(C(=O)OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 3/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44

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
SCHEMBL4879449 0.89 KDM4E (0.44) KDM4EALDH1A1POLBHPGDNPSR1
SCHEMBL6929610 0.87 HSD17B10 (0.49) KDM4EALDH1A1POLBHPGDNPSR1
SCHEMBL6931738 0.87 TPMT (0.47) KDM4EALDH1A1POLBHPGDNPSR1
SCHEMBL12419331 0.87 GALK1 (0.59) KDM4EALDH1A1POLBHPGDNPSR1
SCHEMBL6929791 0.82 TPMT (0.52) KDM4EALDH1A1POLBHPGDMAPT
SCHEMBL9176089 0.79 HSD17B10 (0.51) KDM4EALDH1A1POLBHPGDNPSR1
SCHEMBL15434927 0.76 GALK1 (0.52) KDM4EALDH1A1POLBHPGDNPSR1
SCHEMBL6784000 0.75 KDM4E (0.56) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL6931187 0.75 CYP1A2 (0.63) KDM4EALDH1A1POLBHPGDNPSR1
SCHEMBL3511611 0.74 TSHR (0.57) KDM4EALDH1A1POLBHPGDNPSR1

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-2225584-A None JP disclosed
JP-H02225584-A NOVEL ANIONIC CYCLOPHANE DERIVATIVE DAICEL CHEM IND LTD 1990-09-07 JP disclosed