SCHEMBL27401495

SCHEMBL27401495

Cc1c(C(C)(C)C)oc2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
PGAM1 P18669 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
RET P07949 1/20 0.43
TSHR P16473 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
SCHEMBL8871256 0.85 ALDH1A1 (0.45) MAOAKDM4EHPGDALDH1A1GLA
SCHEMBL14506245 0.82 MAOA (0.59) MAOAKDM4EHPGDALDH1A1GLA
SCHEMBL23816596 0.81 KDM4E (0.57) MAOAKDM4EHPGDALDH1A1GLA
SCHEMBL6719113 0.77 MAOA (0.61) MAOAKDM4EHPGDALDH1A1GLA
Xanthone SCHEMBL41161 0.76 MAOA (1.00) MAOAKDM4EHPGDALDH1A1GLA
Xanthone SCHEMBL29398266 0.76 MAOA (1.00) MAOAKDM4EHPGDALDH1A1GLA
Xanthone SCHEMBL2354794 0.76 MAOA (1.00) MAOAKDM4EHPGDALDH1A1GLA
Xanthone SCHEMBL29358061 0.76 MAOA (1.00) MAOAKDM4EHPGDALDH1A1GLA
SCHEMBL4696277 0.76 MAOA (0.90) MAOAKDM4EHPGDALDH1A1GLA
Xanthone SCHEMBL11245548 0.74 MAOA (0.86) MAOAKDM4EHPGDALDH1A1GLA

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
CN-1079738-A Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1993-12-22 CN claimed