SCHEMBL8897316

SCHEMBL8897316

Nc1ccc(-c2ccccc2)c(OCCO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
CYP19A1 P11511 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.53
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR7 P34969 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 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
SCHEMBL27902946 0.87 TP53 (0.54) CYP11B1CYP11B2CYP19A1PTGDR2TP53
SCHEMBL13910996 0.86 PTGDR2 (0.69) CYP11B1CYP11B2CYP19A1PTGDR2TP53
SCHEMBL30719645 0.85 NCOA1 (0.53) CYP11B1CYP11B2CYP19A1PTGDR2TP53
SCHEMBL3783390 0.83 MAPT (0.53) CYP11B1CYP11B2CYP19A1PTGDR2TP53
SCHEMBL3791209 0.81 CYP19A1 (0.74) CYP11B1CYP11B2CYP19A1PTGDR2RAB9A
SCHEMBL26153446 0.81 ALDH1A1 (0.56) PTGDR2TP53MAPK1RAB9AALDH1A1
SCHEMBL2601944 0.80 GAA (0.52) PTGDR2TP53MAPK1ALOX5APFEN1
SCHEMBL21540608 0.79 ALDH1A1 (0.46) CYP11B1CYP11B2TP53MAPK1RAB9A
SCHEMBL27920645 0.79 ALDH1A1 (0.61) CYP11B1CYP11B2CYP19A1PTGDR2TP53
SCHEMBL8897321 0.79 TP53 (0.56) TP53MAPK1RAB9AALOX5APFEN1

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-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed