SCHEMBL7982231

SCHEMBL7982231

CCCC(C)Oc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 7/20 0.50
HPGD P15428 5/20 0.50
HTT P42858 4/20 0.50
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
TSHR P16473 1/20 0.49
GGT1 P19440 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
BLM P54132 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL28843221 1.00 KDM4E (0.55) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL3716464 0.88 ALDH1A1 (0.67) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL25788052 0.88 ALDH1A1 (0.67) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL4602778 0.88 ALDH1A1 (0.67) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL8425121 0.88 ALDH1A1 (0.67) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL13609852 0.87 IRAK4 (0.50) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL1899339 0.87 KDM4E (0.54) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL8441412 0.86 CCNB2 (0.56) KDM4EKMT2AMEN1RECQLIRAK4
SCHEMBL29639528 0.86 IRAK4 (0.66) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL29639517 0.86 IRAK4 (0.66) KDM4EKMT2AMEN1RECQLALDH1A1

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
CN-114921391-A 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-08-19 CN disclosed
US-6278028-B1 FOR ELECTROCLINIC DEVICE THE SECRETARY OF STATE FOR IN DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-08-21 US disclosed