SCHEMBL9640922

SCHEMBL9640922

Oc1ccc(O)c(C2CCC(c3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
ESR2 Q92731 5/20 0.44
DRD1 P21728 5/20 0.42
ESR1 P03372 3/20 0.42
HTR2A P28223 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DEGS1 O15121 1/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL10899805 0.79 NUDT1 (0.54) ESR2ESR1ALDH1A1CYP3A4CYP2C9
SCHEMBL14538339 0.78 ESR2 (0.68) ESR2ESR1SLC18A3SIGMAR1CYP3A4
SCHEMBL9640917 0.78 ESR2 (0.55) ESR2ESR1ALDH1A1HPGDHSD17B10
SCHEMBL69755 0.77 NUDT1 (0.57) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL8204995 0.77 QDPR (0.53) ESR2ESR1CYP3A4CYP2C9
Phenol SCHEMBL28869398 0.76 ESR2 (0.58) GRIN2BESR2ESR1DEGS1SLC18A3
SCHEMBL2718818 0.76 ESR2 (0.53) ESR2ESR1DEGS1CYP3A4CYP2C9
SCHEMBL2720517 0.76 ESR2 (0.53) ESR2ESR1DEGS1CYP3A4CYP2C9
Hydrogen Peroxide SCHEMBL2353767 0.76 SLC18A3 (0.64) GRIN2BKMT2ASLC18A3SIGMAR1ALDH1A1
SCHEMBL8313932 0.74 QDPR (0.55) ESR2ESR1SLC18A3SIGMAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370054-B1 CATALYST COMPOSITION AND METHOD FOR SELECTIVE DEHYDROGENATION EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-01-15 EP claimed
EP-0370054-A1 CATALYST COMPOSITION AND METHOD FOR SELECTIVE DEHYDROGENATION. EASTMAN KODAK CO (US) 1990-05-30 EP claimed
WO-1989000452-A1 CATALYST COMPOSITION AND METHOD FOR SELECTIVE DEHYDROGENATION EASTMAN KODAK COMPANY (US) 1989-01-26 WO claimed