SCHEMBL11118086

SCHEMBL11118086

CCCCCC1(CCC)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
HSD11B1 P28845 2/20 0.30
HSD11B2 P80365 1/20 0.30
CYP1A2 P05177 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
SCHEMBL25392534 0.95 TSHR (0.35) CETPCNR1CNR2TSHRTHRB
SCHEMBL25392277 0.95 TSHR (0.35) CETPCNR1CNR2TSHRTHRB
SCHEMBL30501696 0.95 TSHR (0.35) CETPCNR1CNR2TSHRTHRB
SCHEMBL25392376 0.95 TSHR (0.35) CETPCNR1CNR2TSHRTHRB
SCHEMBL5712582 0.95 TSHR (0.35) CETPCNR1CNR2TSHRTHRB
SCHEMBL25390367 0.95 TSHR (0.35) CETPCNR1CNR2TSHRTHRB
SCHEMBL30501669 0.95 TSHR (0.35) CETPCNR1CNR2TSHRTHRB
SCHEMBL28209111 0.93 CETP (0.32) CETPCYP1A2
SCHEMBL25392317 0.93 TSHR (0.40) CETPCNR1CNR2TSHRTHRB
SCHEMBL25392990 0.93 TSHR (0.40) CETPCNR1CNR2TSHRTHRB

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-4450067-A Distillation-induced extraction process MOBIL OIL CORPORATION (US) 1984-05-22 US disclosed