SCHEMBL9199339

SCHEMBL9199339

CCCCCc1cc(O)c(C(c2ccccc2)C2CC2)c(=O)o1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL9201135 1.00 ELANE (0.47) ELANEMAPTKDM4EMEN1NPC1
SCHEMBL6177695 0.92 CYP2C9 (0.38) ELANEMAPTMEN1KMT2AALOX15
SCHEMBL6173304 0.90 HTR2B (0.43) ELANENPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL9197301 0.88 ELANE (0.34) ELANEMAPTMEN1KMT2A
SCHEMBL6175617 0.88 ELANE (0.33) ELANEMAPTRAB9A
SCHEMBL6174860 0.88 ELANE (0.33) ELANEMAPT
SCHEMBL6174391 0.88 HTR2B (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL9194038 0.87 CYP2C9 (0.38) ELANEMAPT
SCHEMBL9193220 0.87 MAPT (0.40) MAPTHPGDALOX15
SCHEMBL6175129 0.87 ELANE (0.33) ELANEMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP claimed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed