SCHEMBL10608928

SCHEMBL10608928

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.46
ESR2 Q92731 9/20 0.46
SHBG P04278 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2L1 Q07817 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCL2L2 Q92843 1/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
AR P10275 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 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
SCHEMBL15893491 0.78 ESR1 (0.46) ESR1ESR2ALDH1A1LMNACYP3A4
SCHEMBL18139 0.76 SHBG (0.53) ESR1ESR2SHBGALDH1A1LMNA
SCHEMBL6157069 0.74 SHBG (0.50) ESR1ESR2SHBGALDH1A1LMNA
SCHEMBL22620371 0.73 ESR1 (0.50) ESR1ESR2LMNACYP3A4AR
SCHEMBL3480352 0.73 SHBG (0.52) ESR1ESR2SHBGALDH1A1LMNA
SCHEMBL2051070 0.72 ESR1 (0.73) ESR1ESR2SHBGMEN1ALDH1A1
SCHEMBL15854207 0.70 ESR1 (0.55) ESR1ESR2SHBGALDH1A1SMN1; SMN2
SCHEMBL8373596 0.70 ESR1 (0.55) ESR1ESR2SHBGALDH1A1SMN1; SMN2
SCHEMBL4704505 0.70 ESR1 (0.65) ESR1ESR2SHBGMEN1ALDH1A1
SCHEMBL9508102 0.70 ESR1 (0.56) ESR1ESR2MEN1ALDH1A1KMT2A

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-4804692-A POLYETHERSILOXANE STABILIZER MOBAY CORPORATION (US) 1989-02-14 US disclosed