SCHEMBL29137166

SCHEMBL29137166

CCCN(N)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
ESR1 P03372 8/20 0.39
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.35
AOC3 Q16853 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
SCHEMBL29137135 0.89 HTR1A (0.40) HTR1AESR1TP53TSHR
SCHEMBL29137147 0.87 ALDH1A1 (0.40) HTR1AESR1TP53TSHR
SCHEMBL29137121 0.85 ALDH1A1 (0.42) HTR1AESR1TP53TSHR
SCHEMBL29137160 0.85 ALDH1A1 (0.42) HTR1AESR1TP53TSHR
SCHEMBL29137139 0.85 ALDH1A1 (0.42) HTR1AESR1TP53TSHR
SCHEMBL29137126 0.85 ALDH1A1 (0.42) HTR1AESR1TP53TSHR
SCHEMBL29137141 0.85 ALDH1A1 (0.42) HTR1AESR1TP53TSHR
SCHEMBL4852020 0.83 TSHR (0.38) HTR1AESR1TSHRAOC3
SCHEMBL9549184 0.82 CA2 (0.36) HTR1ATSHR
SCHEMBL1837510 0.79 HTR1A (0.48) HTR1AESR1TP53TSHR

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-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed