SCHEMBL28797573

SCHEMBL28797573

CC(C)CC(C)(C)CCC(C)(C)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.48
ESR1 P03372 14/20 0.47
ESR2 Q92731 12/20 0.47
CYP3A4 P08684 3/20 0.42
LMNA P02545 1/20 0.42
TYR P14679 1/20 0.42
AR P10275 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 1/20 0.42
ESRRG P62508 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL25865911 0.79 SHBG (0.53) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL25230502 0.78 SHBG (0.52) SHBGESR1ESR2CYP3A4LMNA
Phosphonic Acid SCHEMBL10410133 0.75 SHBG (0.48) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL52004 0.75 ESR1 (0.50) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL28477537 0.74 SHBG (0.68) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL21137714 0.73 ESR1 (0.59) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL27780544 0.72 SHBG (0.59) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL199692 0.72 ESR1 (0.65) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL9472085 0.72 ESR1 (0.58) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL9455627 0.72 ESR1 (0.57) ESR1ESR2SLC6A2MEN1KMT2A

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
CN-102660105-A Composite melt body of alkyl phenolic resin and hydrocarbon resin, and preparation method thereof CHANGZHOU CHANGJING CHEMICAL CO LTD 2012-09-12 CN disclosed