SCHEMBL11550608

SCHEMBL11550608

CC(O)CC1(C)CCC(C(C)C)C(C(=O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
SLC1A2 P43004 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.31
SLC6A12 P48065 1/20 0.30
SLC6A11 P48066 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
SCHEMBL2354562 0.87 POLB (0.30) POLBTSHRSLC1A2MEN1CYP1A2
SCHEMBL1199315 0.78 CYP19A1 (0.30)
SCHEMBL18105684 0.77 APLNR (0.38) POLBTSHRSLC1A2MEN1CYP1A2
SCHEMBL18105681 0.77 APLNR (0.38) POLBTSHRSLC1A2MEN1CYP1A2
SCHEMBL1199310 0.77 EPHX1 (0.32) EPHX1
SCHEMBL11665889 0.74 FFAR3 (0.43) POLBTSHRSLC1A2MEN1CYP1A2
SCHEMBL11551082 0.74 POLB (0.33) POLBTSHREPHX1SLC6A12SLC6A11
SCHEMBL2354559 0.72 POLB (0.30) POLBTSHRSLC1A2MEN1CYP1A2
SCHEMBL29861464 0.72 NR1H4 (0.33)
SCHEMBL301673 0.71 EPHX1 (0.45) EPHX1

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-4157384-A Compositions having a physiological cooling effect WILKINSON SWORD LIMITED (GB) 1979-06-05 US disclosed