SCHEMBL28758552

SCHEMBL28758552

C=CC(=O)OC(CCCCCCCC)CC(CCC)CCCCC.O=C(O)C1CCC(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HCAR2 Q8TDS4 2/20 0.33
HPGD P15428 1/20 0.33
S1PR5 Q9H228 6/20 0.31
PDCD4 Q53EL6 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
CNR1 P21554 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
GLS2 Q9UI32 1/20 0.30
ALDH1A1 P00352 1/20 0.30
S1PR1 P21453 4/20 0.30
S1PR3 Q99500 3/20 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
SCHEMBL27626091 0.91 TSHR (0.36) TSHRHCAR2HPGDS1PR5ALDH1A1
SCHEMBL28758544 0.89 TSHR (0.38) TSHRHCAR2HPGDS1PR5GPR84
SCHEMBL28758545 0.89 TSHR (0.37) TSHRHCAR2HPGDPDCD4ALDH1A1
SCHEMBL27626034 0.88 TSHR (0.36) TSHRHPGDS1PR5
SCHEMBL27646469 0.87 TSHR (0.48) TSHRHPGDALDH1A1
SCHEMBL27646431 0.87 TSHR (0.40) TSHRHCAR2HPGDS1PR5GPR84
SCHEMBL28758549 0.87 TSHR (0.40) TSHRHCAR2HPGDS1PR5GPR84
SCHEMBL27646434 0.85 TSHR (0.38) TSHRHPGD
SCHEMBL27626043 0.84 TSHR (0.35) TSHRHCAR2HPGDS1PR5GPR84
SCHEMBL27646420 0.84 TSHR (0.35) TSHRHCAR2HPGDS1PR5GPR84

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