SCHEMBL11166309

SCHEMBL11166309

O=C1C=CC(c2ccccc2)(c2ccccc2)C=C1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 2/20 0.35
MMP2 P08253 1/20 0.35
POLB P06746 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AKR1B1 P15121 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
COMT P21964 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL5906264 0.70 TLR9 (0.40) MMP2POLBALDH1A1MAPTGAA
SCHEMBL11168899 0.64
SCHEMBL6152348 0.63 OPRM1 (0.38) ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL13379626 0.61 CA12 (0.48) GPR55ALDH1A1AKR1B1MAPTRAB9A
SCHEMBL6614069 0.59 CYP2C9 (0.35) MMP2POLBALDH1A1MAPTGAA
SCHEMBL8773331 0.59 OPRM1 (0.35) KMT2AMEN1CYP2C9
SCHEMBL3674004 0.58 POLB (0.44) MMP2POLBGPR55ALDH1A1MAPT
Phenol SCHEMBL28096443 0.57 TDP1 (0.48) DBHMMP2ALDH1A1MAPTRAB9A
SCHEMBL143060 0.57 LMNA (0.42) MMP2POLBGPR55ALDH1A1MAPT
SCHEMBL10893354 0.54 OPRM1 (0.34) MMP2ALDH1A1MAPTCYP2C9

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
US-4376733-A Preparation of oxacycloalkenones FRIMER ARYEH 1983-03-15 US disclosed