SCHEMBL20237239

SCHEMBL20237239

CCCCCCCCCCCCOc1ccc(CCCO)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.58
CNR1 P21554 3/20 0.58
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.53
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
NR5A1 Q13285 1/20 0.46

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
SCHEMBL27088421 0.92 TSHR (0.59) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL12924070 0.87 TSHR (0.56) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL27315198 0.85 MEN1 (0.46) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL30092258 0.82 APLNR (0.56) CNR1
SCHEMBL80130 0.82 APLNR (0.56) CNR1
SCHEMBL30358658 0.81 MEN1 (0.56) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL1171776 0.81 MEN1 (0.56) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL4684291 0.80 PNLIP (0.42) CNR2CNR1THRATHRB
SCHEMBL13528991 0.79 APLNR (0.53) CNR1MEN1ALDH1A1KMT2ATSHR
SCHEMBL16314448 0.79 THRA (0.56) TSHRTHRATHRBNR5A1

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
EP-3331855-A1 NEW ANIONIC SURFACTANTS AND DETERGENTS COMPRISING THEM Henkel AG & Co. KGaA (DE) 2018-06-13 EP disclosed