SCHEMBL8154331

SCHEMBL8154331

C=C(C)C(=O)ONCCCCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 7/20 0.41
FAAH O00519 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CNR2 P34972 2/20 0.37
CASP2 P42575 1/20 0.37
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.36
HSP90AA1 P07900 1/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL27643100 0.98 TSHR (0.55) TSHRALDH1A1EPHX1FAAHZDHHC20
SCHEMBL16176196 0.98 TSHR (0.55) TSHRALDH1A1EPHX1FAAHZDHHC20
SCHEMBL18725606 0.98 TSHR (0.55) TSHRALDH1A1EPHX1FAAHZDHHC20
SCHEMBL20427935 0.98 TSHR (0.55) TSHRALDH1A1EPHX1FAAHZDHHC20
SCHEMBL27489106 0.98 TSHR (0.55) TSHRALDH1A1EPHX1FAAHZDHHC20
Hydrochloric Acid SCHEMBL346303 0.96 TSHR (0.53) TSHRALDH1A1EPHX1FAAHZDHHC20
SCHEMBL4609619 0.94 TSHR (0.48) TSHRALDH1A1EPHX1CNR2THRB
SCHEMBL28507521 0.92 TSHR (0.47) TSHRALDH1A1EPHX1CNR2THRB
Trimethylammonium SCHEMBL27807076 0.87 TSHR (0.43) TSHRALDH1A1EPHX1CNR2THRB
SCHEMBL7153803 0.86 ALDH1A1 (0.46) TSHRALDH1A1ZDHHC20ZDHHC2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6099315-A Applicator tip for desensitizing agents and method BLOCK DRUG COMPANY, INC. (US) 2000-08-08 US claimed
CN-115851245-B Oil-based drilling fluid low-density solid phase scavenger and preparation method thereof 中国石油天然气集团有限公司 2023-07-14 CN disclosed
CN-115851245-A Low-density solid phase scavenger for oil-based drilling fluid and preparation method thereof 中国石油天然气集团有限公司 2023-03-28 CN disclosed
US-6099315-A Applicator tip for desensitizing agents and method BLOCK DRUG COMPANY, INC. (US) 2000-08-08 US disclosed