SCHEMBL13830002

SCHEMBL13830002

C=CCCC(C)C[C@@H](O)I

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13728933 0.82 ATM (0.33) FAAHUSP2ALDH1A1CYP3A4MAPT
SCHEMBL22366992 0.82 ATM (0.33) FAAHUSP2ALDH1A1CYP3A4MAPT
SCHEMBL27974365 0.79 TSHR (0.36) ALDH1A1
SCHEMBL13728977 0.77 TSHR (0.33) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL13728975 0.77 TSHR (0.33) USP2ALDH1A1CYP3A4MAPTHPGD
Ammonia Solution, Strong SCHEMBL3120952 0.77 TSHR (0.35) ALDH1A1
SCHEMBL3250029 0.75 TSHR (0.42) ALDH1A1CYP3A4
SCHEMBL8960940 0.75 TSHR (0.33) ALDH1A1
SCHEMBL19302207 0.73 USP2 (0.39) FAAHUSP2ALDH1A1CYP3A4MAPT
SCHEMBL16012013 0.72 USP2 (0.40) USP2ALDH1A1CYP3A4MAPTHPGD

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
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed