SCHEMBL8102420

SCHEMBL8102420

CCCCCCCC/C=C\CCCCCCCCOC(=O)C(C)=CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.47
TSHR P16473 2/20 0.43
EPHX2 P34913 2/20 0.41

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
SCHEMBL20873745 0.93 TSHR (0.49) FAAHTSHREPHX2
SCHEMBL8106222 0.93 TSHR (0.49) FAAHTSHREPHX2
SCHEMBL27768653 0.93 TSHR (0.49) FAAHTSHREPHX2
SCHEMBL27632359 0.93 TSHR (0.49) FAAHTSHREPHX2
SCHEMBL2536868 0.88 ALDH1A1 (0.43) TSHREPHX2
SCHEMBL9801790 0.82 PPM1B (0.33) TSHR
SCHEMBL28695797 0.79 FAAH (0.57) FAAHTSHREPHX2
Cyclohexane SCHEMBL8102416 0.78 TSHR (0.73) FAAHTSHREPHX2
Cyclohexane SCHEMBL8102427 0.78 TSHR (0.73) FAAHTSHREPHX2
SCHEMBL27495404 0.78 FAAH (0.56) FAAHTSHREPHX2

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-6015551-A COPOLYMER OF OLEFIN ACID, DIACID OR ANHYDRIDE AND VINYL OR ALLYL MONOMERS BASF AKTIENGESELLSCHAFT (DE) 2000-01-18 US disclosed