SCHEMBL172276

SCHEMBL172276

C=C(C)c1ccc(CC(C)(O)CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
ESR1 P03372 5/20 0.37
ESR2 Q92731 4/20 0.37
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2258833 0.85 THRA (0.39) THRATHRBESR1ESR2KMT2A
SCHEMBL994871 0.82 THRA (0.42) THRATHRBESR1ESR2KMT2A
SCHEMBL11804504 0.80 HPGD (0.46) ESR1ESR2KMT2AHPGDALDH1A1
SCHEMBL20707173 0.77 THRA (0.44) THRATHRBESR1ESR2KMT2A
SCHEMBL309176 0.75 THRA (0.44) THRATHRBESR1ESR2KMT2A
SCHEMBL14446922 0.75 KDM4E (0.46) ESR1ESR2KMT2AHPGDCYP3A4
SCHEMBL27666403 0.75 SLC6A4 (0.55) ESR1ESR2KMT2AALDH1A1TSHR
SCHEMBL515470 0.74 SLC6A2 (0.52) ALDH1A1CYP3A4
SCHEMBL1362104 0.73 ALDH1A1 (0.54) THRATHRBKMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL11513172 0.71 SLC6A2 (0.48) ALDH1A1CYP3A4

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-2082875-B1 Lithographic printing plate precursor and plate making method using the precursor FUJIFILM CORP (JP) 2012-03-07 EP disclosed