SCHEMBL10691515

SCHEMBL10691515

C=CCc1ccc(O)c(C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.61
GABRA1 P14867 8/20 0.59
GABRB2 P47870 8/20 0.59
ALDH1A1 P00352 4/20 0.59
CNR2 P34972 3/20 0.59
MEN1 O00255 3/20 0.59
GAA P10253 3/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 3/20 0.59
CNR1 P21554 2/20 0.59
PPARG P37231 2/20 0.59
PPARD Q03181 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH2 P05091 1/20 0.59
AKR1B1 P15121 1/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALOX5 P09917 4/20 0.56
CYP3A4 P08684 1/20 0.56
AR P10275 1/20 0.56

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
SCHEMBL4706726 0.84 THRA (0.47) XDHGABRA1GABRB2ALDH1A1MEN1
SCHEMBL10743693 0.84 XDH (0.63) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL5598779 0.79 GSR (0.53) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL12949905 0.79 THRA (0.51) GABRA1GABRB2ALDH1A1CNR2MEN1
SCHEMBL4392926 0.79 THRA (0.55) GABRA1GABRB2ALDH1A1MEN1MAPT
SCHEMBL9327649 0.77 ALDH1A1 (0.42) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL5166554 0.77 TRPA1 (0.59) GABRA1GABRB2ALDH1A1MEN1MAPT
SCHEMBL5382094 0.77 THRA (0.47) GABRA1GABRB2ALDH1A1MEN1MAPT
SCHEMBL9088380 0.77 XDH (0.54) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL9088373 0.77 XDH (0.54) XDHGABRA1GABRB2ALDH1A1CNR2

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
WO-2023121492-A1 NEW STERICALLY ACTIVATED CHELATING RUTHENIUM COMPLEXES, METHOD OF THEIR PREPARATION AND THEIR USE IN OLEFIN METATHESIS REACTIONS APEIRON SYNTHESIS S.A. (PL) 2023-06-29 WO disclosed
EP-0174277-B1 ANTI-OXIDANT COMPOSITONS FOR ORGANIC MATERIAL CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed
US-4691044-A REACTING SULFUR WITH PHENOL DERIVATIVE CIBA-GEIGY CORPORATION (US) 1987-09-01 US disclosed
EP-0174277-A1 Anti-oxidant compositons for organic material CIBA-GEIGY AG (CH) 1986-03-12 EP disclosed