SCHEMBL8894081

SCHEMBL8894081

CCC[CH]C(=O)OCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.59
ATM Q13315 1/20 0.55
NAAA Q02083 1/20 0.53
TSHR P16473 5/20 0.52
HPGD P15428 1/20 0.52
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.45
LMNA P02545 1/20 0.44
APP P05067 3/20 0.44

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
SCHEMBL8895422 1.00 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD
SCHEMBL8896113 1.00 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD
SCHEMBL8896935 1.00 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD
SCHEMBL1889620 1.00 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD
SCHEMBL6929525 1.00 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD
SCHEMBL8896661 1.00 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD
SCHEMBL6970553 0.98 HCAR2 (0.58) HCAR2ATMNAAATSHRHPGD
SCHEMBL6931235 0.92 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD
SCHEMBL8815436 0.92 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD
SCHEMBL1888897 0.92 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed