SCHEMBL9322233

SCHEMBL9322233

COc1cc2c(cc1OCCO)C(=O)CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 4/20 0.42
TUBB1 Q9H4B7 2/20 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
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 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
SCHEMBL3970718 0.87 KMT2A (0.44) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL3081962 0.84 KMT2A (0.42) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL29420326 0.84 KMT2A (0.56) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL29420327 0.84 KMT2A (0.56) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL354177 0.84 KMT2A (0.56) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL4816656 0.83 HTR7 (0.46) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL3965311 0.81 MAOB (0.38) KMT2AMEN1TUBB1TUBB4ATUBB
SCHEMBL4813281 0.80 ACHE (0.60) ACHE
SCHEMBL17043171 0.80 BRD4 (0.41) HSD17B1HSD17B10ACHE
SCHEMBL4553004 0.79 BRD4 (0.64) KMT2AALDH1A1GAAKDM4E

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-5318976-A Topoisomerase inhibitors GLAXO INC. (US) 1994-06-07 US disclosed
US-5223506-A CYCLIC ANTITUMOR COMPOUNDS GLAXO INC. (US) 1993-06-29 US disclosed
WO-1992021661-A1 CYCLIC ANTITUMOR COMPOUNDS GLAXO INC. (US) 1992-12-10 WO disclosed