SCHEMBL11090166

SCHEMBL11090166

COc1ccc(C(=O)N2CCC(CC(=O)O)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 3/20 0.46
HSD11B1 P28845 2/20 0.45
MGLL Q99685 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL11090168 1.00 KMT2A (0.51) KMT2AMAPTRECQLKDM4EMEN1
SCHEMBL10955113 0.83 HSD11B1 (0.44) CYP2C19POLBGAAALDH1A1HPGD
SCHEMBL10955120 0.83 HSD11B1 (0.44) CYP2C19POLBGAAALDH1A1HPGD
SCHEMBL1171653 0.80 KMT2A (0.57) KMT2AMAPTRECQLKDM4EMEN1
SCHEMBL1171649 0.80 KMT2A (0.57) KMT2AMAPTRECQLKDM4EMEN1
SCHEMBL11091013 0.80 KMT2A (0.57) KMT2AMAPTRECQLKDM4EMEN1
SCHEMBL7622115 0.79 KMT2A (0.56) KMT2AMAPTRECQLKDM4EMEN1
SCHEMBL7622111 0.79 KMT2A (0.56) KMT2AMAPTRECQLKDM4EMEN1
SCHEMBL7622118 0.79 KMT2A (0.56) KMT2AMAPTRECQLKDM4EMEN1
SCHEMBL11388422 0.79 ALDH1A1 (0.57) KMT2AMAPTRECQLKDM4EMEN1

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-4461906-A IMPROVING INTELLECTUAL CAPACITY HOFFMANN-LA ROCHE INC. (US) 1984-07-24 US disclosed
EP-0024030-B1 PYRROLIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-30 EP disclosed
EP-0024030-A1 Pyrrolidine derivatives, processes for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-02-18 EP disclosed