SCHEMBL29960461

SCHEMBL29960461

COC(=O)c1cccc(Oc2ccccc2C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
ERN1 O75460 4/20 0.51
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 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
SCHEMBL20240298 1.00 LMNA (0.55) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL29960482 0.88 L3MBTL1 (0.49) LMNAKMT2AALDH1A1NPSR1L3MBTL1
SCHEMBL3123358 0.85 NPSR1 (0.52) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL20240279 0.84 LMNA (0.67) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL3129398 0.84 LMNA (0.65) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL3507291 0.80 USP2 (0.61) KMT2AGAAALDH1A1L3MBTL1TP53
SCHEMBL27489857 0.80 L3MBTL1 (0.59) LMNAKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2436534 0.80 L3MBTL1 (0.65) KMT2AALDH1A1L3MBTL1TP53SMN1; SMN2
SCHEMBL8393465 0.79 LMNA (0.73) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL521860 0.79 AKR1C3 (0.68) LMNAKMT2AALDH1A1L3MBTL1TP53

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
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed