SCHEMBL9166296

SCHEMBL9166296

COC(=O)CC1CCCC(O)C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TACR1 P25103 1/20 0.39
ACHE P22303 1/20 0.39
SLC18A3 Q16572 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL9170915 0.84 TP53 (0.48) TACR1SLC18A3L3MBTL1
SCHEMBL22002721 0.78 TSHR (0.41) PKM
SCHEMBL21558169 0.77 SLC18A3 (0.44) SLC18A3
SCHEMBL8391238 0.76 SLC18A3 (0.45) TACR1SLC18A3
SCHEMBL8706022 0.76 SLC18A3 (0.45) TACR1SLC18A3
SCHEMBL8391240 0.76 SLC18A3 (0.45) TACR1SLC18A3
SCHEMBL18088735 0.74 TP53 (0.43) POLBSLC18A3L3MBTL1
SCHEMBL1709387 0.73 SSTR3 (0.44)
SCHEMBL9164285 0.72 TACR1 (0.79) TACR1
SCHEMBL10033109 0.72 KDM1A (0.41) POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387595-A Antiinflammatory agents MERCK & CO., INC. (US) 1995-02-07 US disclosed
WO-1994004487-A1 ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-03-03 WO disclosed