SCHEMBL27646381

SCHEMBL27646381

C=CC(=O)OC(CCCCCCC)CCCCCC(C)C.O=C(O)C1CCC(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.35
ACE2 Q9BYF1 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TP53 P04637 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
ABCB1 P08183 1/20 0.32
FAAH O00519 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 1/20 0.32
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 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
SCHEMBL27646420 1.00 TSHR (0.35) TSHRHPGDACE2S1PR5TP53
SCHEMBL27626043 1.00 TSHR (0.35) TSHRHPGDACE2S1PR5TP53
SCHEMBL27646389 0.99 TSHR (0.35) TSHRHPGDACE2S1PR5TP53
SCHEMBL28758544 0.95 TSHR (0.38) TSHRHPGDS1PR5GPR84FFAR1
SCHEMBL27646346 0.91 TSHR (0.33) TSHR
SCHEMBL27646431 0.90 TSHR (0.40) TSHRHPGDS1PR5GPR84FFAR1
SCHEMBL28758549 0.90 TSHR (0.40) TSHRHPGDS1PR5GPR84FFAR1
SCHEMBL27626010 0.87 TSHR (0.34) TSHRHPGD
SCHEMBL28758552 0.84 TSHR (0.39) TSHRHPGDS1PR5GPR84FFAR1
SCHEMBL27646585 0.84 EPHX2 (0.31) TSHRHPGD

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
CN-101410646-A Torque limiter JTEKT CORP (JP) 2009-04-15 CN disclosed
CN-1784203-A Cosmetic composition containing cyclohexane polycarboxylic acid derivative BASF AG (DE) 2006-06-07 CN disclosed