SCHEMBL8523895

SCHEMBL8523895

Fc1[c]ccc(OCCCCCCBr)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.35
ALDH2 P05091 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
PRMT1 Q99873 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL919674 0.85 APP (0.38) PRSS1TSHR
SCHEMBL919747 0.85 PRSS1 (0.33) PRSS1TSHR
SCHEMBL920143 0.85 APP (0.38) PRSS1TSHR
SCHEMBL919177 0.85 PRSS1 (0.33) PRSS1TSHR
SCHEMBL921175 0.85 APP (0.38) PRSS1TSHR
SCHEMBL920457 0.85 PRSS1 (0.33) PRSS1TSHR
SCHEMBL920098 0.83 TSHR (0.49) TSHR
SCHEMBL920552 0.83 TSHR (0.49) TSHR
SCHEMBL9700131 0.83 TSHR (0.49) TSHR
SCHEMBL920046 0.83 CYP1A2 (0.42) PRSS1NPC1TSHRGAA

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-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed