SCHEMBL7790643

SCHEMBL7790643

CC(=O)[C]1C=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ PTPRC P08575 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PTPN22 Q9Y2R2 1/20 0.43

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
Acetic Acid SCHEMBL27311702 0.71 ALDH1A1 (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL10881475 0.71 ALDH1A1 (0.41) LMNAMAPTALDH1A1MEN1KMT2A
Bicarbonate SCHEMBL9350415 0.70 P2RX4 (0.48) LMNAMAPTALDH1A1MEN1KMT2A
1,2-Naphthoquinone SCHEMBL27558186 0.69 PTPRC (0.77) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL29120205 0.69 MAPT (0.45) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1436952 0.68 LMNA (0.41) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL30306724 0.68 LMNA (0.41) LMNAMAPTALDH1A1MEN1KMT2A
Methacrylic Acid SCHEMBL19876935 0.68 ALDH1A1 (0.44) LMNAMAPTALDH1A1HSD17B10KDM4E
Acetic Acid SCHEMBL30956642 0.68 KMT2A (0.38) LMNAMAPTALDH1A1MEN1KMT2A
Acetone SCHEMBL27562549 0.67 POLB (0.50) LMNAMAPTALDH1A1MEN1KMT2A

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-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 — — EP disclosed
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