SCHEMBL7603558

SCHEMBL7603558

[CH2]C(CCCC)(CCCC)OC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.37
THRB P10828 2/20 0.36
FDPS P14324 1/20 0.31
CES1 P23141 1/20 0.30
THRA P10827 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL15970211 0.93 TSHR (0.53) TSHRFDPSMEN1MAPTKMT2A
SCHEMBL29511390 0.82 TSHR (0.48) TSHRALDH1A1THRBFDPSCES1
SCHEMBL27892998 0.81 TSHR (0.47) TSHRALDH1A1THRBCES1MEN1
SCHEMBL28126902 0.81 TSHR (0.47) TSHRALDH1A1THRBFDPSCES1
SCHEMBL8084370 0.81 TSHR (0.47) TSHRALDH1A1THRBFDPSCES1
SCHEMBL703086 0.81 TSHR (0.47) TSHRALDH1A1THRBFDPSCES1
SCHEMBL17509397 0.79 ALDH1A1 (0.42) TSHRALDH1A1THRB
SCHEMBL12036657 0.79 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL3671266 0.79 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL3463417 0.78 TSHR (0.44) TSHRALDH1A1THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102575114-A Resin-coated metal pigment and method for producing same ASAHI CHEMICAL CORP (JP) 2012-07-11 CN disclosed
EP-1266941-A1 Water-based ink KAO CORPORATION (JP) 2002-12-18 EP disclosed
EP-0376318-A2 Thermosensitive recording member KAO CORPORATION (JP) 1990-07-04 EP disclosed