SCHEMBL10700121

SCHEMBL10700121

CC(=O)Oc1cccc(CN2CCN(C(=O)NC(C(=O)O)c3ccccc3)C(=O)C2=O)c1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CCKBR P32239 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL10700071 0.82 POLB (0.37) BRD4MEN1KMT2AATMPOLB
SCHEMBL8597022 0.76 ATM (0.42) MEN1KMT2AATMCCKBRPOLB
SCHEMBL7828421 0.76 ATM (0.42) MEN1KMT2AATMCCKBRPOLB
SCHEMBL11423317 0.76 MAPT (0.39) MEN1KMT2AATMCCKBRPOLB
SCHEMBL11423312 0.76 MAPT (0.39) MEN1KMT2AATMCCKBRPOLB
Water SCHEMBL8600954 0.75 ATM (0.42) MEN1KMT2AATMCCKBRPOLB
SCHEMBL10401867 0.74 TSHR (0.34) POLBHDAC1HDAC2LMNA
SCHEMBL16019029 0.73 ATM (0.40) MEN1KMT2AATMCCKBRHDAC4
SCHEMBL10700196 0.73 TSHR (0.36) MEN1KMT2AATMCCKBRPOLB
SCHEMBL10701353 0.73 ALDH1A1 (0.41) MEN1KMT2AMAPK1POLBHDAC3

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-0293532-A1 6- or 7-beta-[2-[4-(substituted)-2,3-dioxopiperazin-1-yl) carbonylamino]-(substituted)acetamido]-penicillin and cephalosporin derivatives BEECHAM GROUP PLC (GB) 1988-12-07 — — EP disclosed
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