SCHEMBL9689396

SCHEMBL9689396

COc1ccc2c(C)c(-c3nnnn3C(C)C(=O)O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
ALDH1A1 P00352 8/20 0.49
HPGD P15428 6/20 0.44
HSD17B10 Q99714 4/20 0.44
GAA P10253 2/20 0.44
F2RL3 Q96RI0 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL9689398 0.84 TDP1 (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9689940 0.72 TDP1 (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9690025 0.71 PPARA (0.42) KDM4EALDH1A1CA2TDP1TP53
SCHEMBL9690579 0.70 KDM4E (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4762078 0.67 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5031449 0.66 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10GAA
Hydrochloric Acid SCHEMBL11748562 0.66 KDM4E (0.97) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9689963 0.64 HDAC3 (0.43) KDM4EALDH1A1HPGDCA2MAPT
SCHEMBL5031507 0.64 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11748555 0.64 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10GAA

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
EP-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed