SCHEMBL30190293

SCHEMBL30190293

C=CC(=O)OC(CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
HPGD P15428 1/20 0.48
SMPD1 P17405 3/20 0.46
THRB P10828 2/20 0.44
THRA P10827 1/20 0.44
LMNA P02545 2/20 0.43
ZDHHC20 Q5W0Z9 2/20 0.42
ZDHHC2 Q9UIJ5 2/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL30190518 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL29419472 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL30361174 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL542079 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL786290 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL31520063 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL4578058 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL486802 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL4951003 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA
SCHEMBL29419469 1.00 TSHR (0.48) TSHRHPGDSMPD1THRBTHRA

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
CN-111712523-B Ophthalmic product composition 爱尔兰眼力健公司 2023-01-03 CN claimed