SCHEMBL5613338

SCHEMBL5613338

C=C(CC=CC(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC.C=CC(=O)OCCCCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.47
▸ TSHR P16473 6/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ATM Q13315 1/20 0.35
▸ APP P05067 4/20 0.34

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
SCHEMBL7527446 0.89 TSHR (0.55) HCAR2TSHR
SCHEMBL7649975 0.89 TSHR (0.43) HCAR2TSHRHPGDALDH1A1CYP3A4
SCHEMBL6129270 0.87 TSHR (0.39) HCAR2TSHRHPGDALDH1A1CYP3A4
SCHEMBL121143 0.85 HCAR2 (0.55) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL9299634 0.85 HCAR2 (0.55) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL6060612 0.85 HCAR2 (0.55) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL10347496 0.85 HCAR2 (0.55) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL325215 0.83 HCAR2 (0.54) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL6848771 0.83 TSHR (0.54) HCAR2TSHRHPGDALDH1A1CYP3A4
Acrylic Acid SCHEMBL5613341 0.83 TSHR (0.58) HCAR2TSHRHPGDALDH1A1CYP3A4

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-20070092544-A1 Natural insect repellant INT'L ALLY, INC. 2007-04-26 — — US disclosed
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