SCHEMBL29959798

SCHEMBL29959798

COc1cccc2occc(=O)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
ALDH1A1 P00352 5/20 0.57
HPGD P15428 4/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAOA P21397 4/20 0.55
MAPT P10636 5/20 0.54
GAA P10253 1/20 0.53
CYP3A4 P08684 3/20 0.53
AR P10275 2/20 0.53
TP53 P04637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL1859617 1.00 MAOB (0.59) MAOBALDH1A1HPGDKDM4ELMNA
SCHEMBL3843389 0.78 HDAC4 (0.51) MAOBALDH1A1HPGDKDM4ELMNA
SCHEMBL1472177 0.76 KDM4E (0.57) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL10517239 0.76 MAOB (0.63) MAOBALDH1A1HPGDKDM4ELMNA
SCHEMBL27746734 0.76 MAOB (0.63) MAOBALDH1A1HPGDKDM4ELMNA
SCHEMBL11655753 0.76 MAOB (0.59) MAOBALDH1A1HPGDKDM4ELMNA
SCHEMBL29568413 0.76 MAOB (0.48) MAOBALDH1A1HPGDKDM4ELMNA
SCHEMBL546446 0.76 MAOB (0.48) MAOBALDH1A1HPGDKDM4ELMNA
SCHEMBL17237767 0.74 ABCB1 (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL9976085 0.74 ALDH1A1 (0.65) ALDH1A1HPGDKDM4ELMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511018-A1 4-CHROMONE DERIVATIVES AS N-POLYMERASE INHIBITORS FOR USE IN THE TREATMENT PLATINUM RESISTANT METASTATIC NEOPLASM Fondazione Istituto Italiano di Tecnologia (IT) 2025-02-26 EP disclosed
WO-2023203535-A1 4-CHROMONE DERIVATIVES AS N-POLYMERASE INHIBITORS FOR USE IN THE TREATMENT PLATINUM RESISTANT METASTATIC NEOPLASM FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2023-10-26 WO disclosed
EP-4103164-A1 COMPOUNDS FOR TREATING CORONAVIRUS INFECTION NLC Pharma Ltd (IL) 2022-12-21 EP disclosed
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed