SCHEMBL11269727

SCHEMBL11269727

CCC(N)(CC)c1ccc(O)c(C(N)(CC)CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.46
ESR2 Q92731 8/20 0.46
AR P10275 3/20 0.46
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RORC P51449 1/20 0.36
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35

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
SCHEMBL111108 0.81 PRKCI (0.46) ESR1ESR2ARALDH1A1MEN1
SCHEMBL5619681 0.79 ESR1 (0.36) ESR1ESR2ARALDH1A1MEN1
SCHEMBL7035205 0.79 ALDH1A1 (0.38) ESR1ESR2ARALDH1A1MEN1
Hydrochloric Acid SCHEMBL6256851 0.79 ACHE (0.47) ESR1ESR2ARALDH1A1MEN1
SCHEMBL5805284 0.78 ESR1 (0.43) ESR1ESR2ARALDH1A1GAA
SCHEMBL11648169 0.77 TSHR (0.49) ALDH1A1MEN1GAAKMT2ATDP1
SCHEMBL1822446 0.74 TSHR (0.52) ESR1ESR2ARALDH1A1MAPT
SCHEMBL20273007 0.73 ESR1 (0.40) ESR1ESR2ARMEN1MAPT
SCHEMBL30260613 0.73 ST14 (0.39) ESR1ESR2ARALDH1A1MEN1
SCHEMBL9418486 0.73 GABRA1 (0.37) ESR1ESR2ARALDH1A1MEN1

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-4322304-A ANTIOXIDANTS PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US claimed